A Manual for Chemical Patent Searches

by William Ronnenberg


Databases for Searching Prior Art Related To Chemicals


Traditional databases for searching the patent literature include the Derwent
World Patent Index, Japio, European Patents Full-Text and the USPTO database. Many
of these databases are limited in that prior art can be searched only as far back as the
1970s. This poses some difficulties since many chemicals were produced prior to the
1970s. As a result, a prior art search for chemical patents and chemical information
should not be limited to searching traditional patent databases. In addition to traditional
patent databases, chemical information is available in many forms including: chemical
registeries, reaction datebases, chemical inventories, material safety data sheets, toxic
chemical registeries, and chemical catalogs. Additionally, Chemical Abstracts Service
and Bielstein Information Systems produce chemical databases that contain bibliographic
information for chemicals pre-dating the 1970s.

The Types Of Databases Used To Find Chemical Information


Databases containing chemical information generally fall into categories based on
the information they contain and the method used to search for information. A
bibliographic database may contain bibliographic information relevant to patents,
technical data, or scientific and technical literature. A bibliographic database for patents
will include such information as an inventor's name, the name of an assignee, patent
numbers, and an abstract. A bibliographic database for scientific and technical literature
will contain such information as a citation to the document, the author's name, the title,
keywords, and an abstract. A bibliographic database that contains structures and can be
searched using chemical structures or sub-structures can also be categorized as a structure
database. In addition to containing bibliographic information, structure databases may
also contain information on chemical and physical properties.
Additional databases useful for finding chemical information are full-text,
citation, and reaction databases. A full-text database can provide the full-text of patents
or articles published in scientific literature. A citation database contains citations found in
scientific and technical literature. A citation search will provide citations to documents
containing references to the citation searched. This information can be used to provide
recent documents containing information relevant to a specific subject matter. Reaction
databases contain information on chemical reactions including reactants, products,
catalysts, and reaction conditions. Search terms for reaction databases may include
structures, but generally they can be searched by reaction sites or reaction data.
The information contained in most databases does not necessarily fall into a
specific category; however specific information about a database and its search
methodology can be obtained from the database provider. (See Below)

Some Specific Examples of Chemical Databases


Bibliographic Databases:
Beilstein Online is the largest organic chemistry database containing
bibliographic information in the form of an abstract. The database is organized based on
the Beilstein Handbook of Organic Chemistry and covers chemical literature (including
structures and facts) dating from 1771. Beilstein Online contains information on chemical
reaction, preparations, and derivatives. The database also includes patent numbers and
physical properties including optical data, mechanical properties, and thermodynamic
properties. The database is regularly updated with recent information published in
chemical literature. Beilstein Online can be searched using structures, facts, or
bibliographic information including the CAS registry number; Beilstein registry number;
the chemical name; the molecular formula; author names; or document titles. Beilstein
Online is available through the Dialog Corporation and STN.

The Derwent World Patents Index (produced by Derwent Information) provides
patent information acquired from at least 39 countries including the European Patent
offices and the PCT (Patent Cooperation Treaty administered by the World Intellectual
Property Organization (WIPO)). The database contains patent information from over 9
million inventions and is updated weekly. The database contains a bibliographic record
including Derwent assigned titles, Derwent abstracts, inventor name, assignees, patent
numbers, and indexing of chemical inventions. Chemical structure drawings are present
in the database dating back to 1992. The database is available through the Dialog
Corporation. The Derwent World Patent Index can be searched by fields including title,
abstract, inventor, or abstract.


Reaction Database:
CHEMREACT is a reaction database that contains over 300,000 chemical
reactions published in chemical literature from 1974 to 1991. The information contained
in the database includes structures for reactants and products; the chemical names of
solvents and catalysts; the stereochemistry of reactants and products; the yields from
chemical reactions; and information about the reaction. The database can be searched
using any of the aforementioned information.


Structure Databases:
Chemical information can be obtained by entering a chemical structure or sub-
structure. A sub-structure search will return a listing of chemicals that share a common
structure. By choosing a chemical on the list a searcher can obtain information relevant to
that chemical. Performing a structure search can require drawing a chemical structure
using the required software and exporting that structure into the search database. A good
example of a structure database is the National Cancer Institute (NCI) 3D Database found
at chemweb.com. This database can be used as an introduction to chemical database
structure searching.
Additionally databases are available for searching markush structures found in patent
data. A markush structure is a chemical structure that contains functional equivalents
(usually designated as X or Y) at one or more binding sites. The X or Y is said to
represent one or more functional groups that could be contained in the structure. A single
markush structure may represent many chemicals that are functionally similar. In a
chemical patent a markush structure is used to describe chemicals that are suitable for use
in a chemical invention.

     An example of a markush structure wherein R = C2-C4 alkyl or C2-C4
     alkenyl and X1 and X2 each independently represent a chlorine or bromine.

The MARPAT database produced by Chemical Abstract Service can be searched
using markush structures. The database contains a bibliographic record of markush
structures found in the Chemical Abstracts file from 1988 to the present. This database
allows for the retrieval bibliographic information relevant to a markush structure. The
database currently contains more than 122,000 records from 29 national patent offices
including the European Patent Office, and the World Intellectual Property Organization.

Full-Text Patent Database:
The US Patent and Trademark Office (USPTO) offers a full-text patent database
at its web site (www.uspto.gov) that contains US Patents dating from January 1,1976 to
the present. (At www.uspto.gov.) Effective searches of the USPTO patent databases can
be performed using the names of relevant functional groups, chemical names, reactants,
or products. Additionally, effective search terms may include terms associated with a
chemical's use.


Searching Chemical Information


Databases for searching chemical information can include traditional patent
databases, or other databases. Bibliographic information (including patent numbers)
derived from chemical patents can be be acquired by searching databases such as those
provided by Chemical Abstract Service. After finding a relevant patent number, the
patent can be retrieved using a full-text patent database such as the USPTO Full-Text
Patent Database or the full-text patent database provided by the IBM Intellectual Property
Network. (Available on the Internet.) Additionally, European Patents Full-Text are
available from the Dialog Corporation. Information in regard to foreign patents can be
retrieved using the Derwent World Patent Index also available from the Dialog
Corporation.

Where To Find Specific Information About Databases


The largest providers of databases include Dialog Corporation, STN (operated by
Chemical Abstract Service), and Questel-Orbit. Information on how to search specific
databases and the content of the databases can be acquired online. Dialog Corporation
provides information in the form of "bluesheets", STN in the form of "summary sheets"
and Questel-Orbit in the form of "factsheets." Additionally, database providers require a
subscription fee. Information on databases and subscription fees can be obtained on the
Internet at the following Web Sites:

The Dialog Corporation at http://www.dialog.com, bluesheets available at
http://library.dialog.com/bluesheets;

STN on the Web is accessed at http://www.cas.org, summary sheets available at
http://www.cas.org/ONLINE/DBSS/dbsslist.html STN Data sheets;

Questel-Orbit at http://www.questel.orbit.com/english/index.htm, factsheets
available at http://www.questel.orbit.com/english/products/index3.htm.


Databases For Chemical Searches


DATABASE

DESCRIPTION

DATABASE PROVIDERS

Beilstein Online

Structure and properties for 7,169,376 organic substances. Covers chemical literature from 1771

DIALOG

STN

CAOLD

References to pre-1967 Chemical Abstracts files

STN

Chapman & Hall Chemical (produced by Chapman and Hall LTD)

The text of several chemical dictionaries with reference to chemical and physical properties, and use.

DIALOG

Chemical Abstracts (produced by Chemical Abstracts Service)

Generally contains citations to chemistry literature and patents from 1967 to the present.

DIALOG

QUESTEL-ORBIT

Chemical Catalogs Online

Chemicals commercially available world-wide

STN(CHEMCATS)

ChemInformRX

Chemical reactions information derived from ChemInform

STN

CHEMREACT

Contains about 300,000 chemical reactions from reactions in chemical literature

STN

CHEMSEARCH and CHEMNAME (data provided by Chemical Abstracts Service)

Descriptions of chemicals registered by Chemical Abstract Services. Updated monthly

DIALOG

CHEMTOX Online (by Resource Consultants, Inc)

Health, environmental, and safety data for chemicals.

DIALOG

CLAIMS Compound Registry (by the IFI/Plenum Data Company. Direct)

Listing of specific chemicals including chemical names, synonyms, and molecular formulas

DIALOG,

QUESTEL-ORBIT

CSCHEM

Information on chemical products and their suppliers in over 130 countries

STN

Derwent Drug Registry File

(produced by Derwent Information, Ltd.)

Provides a means for obtaining groups of drugs with a common chemical structure. Contains around 60,000 records and is updated weekly.

DIALOG

Derwent World Patent Index

Provides patent information acquired from at least 39 countries including the European Patent Office and the PCT (1963 to Present)

DIALOG

QUESTEL-ORBIT

Dictionary of Substances and their Effects (DOSE)

(produced by the Royal Chemical Society)

The effects of chemicals on organisms and the environment

DIALOG

European Patents Full-Text

Covers EPO patents and applications published since 1978. Also PCT records.

DIALOG

MARPAT (The CAS Patent Markush File)

Markush structure records for patents found in the Chemical Abstracts file

STN(produced by IFI/Plenum Data Corporation)

Material Safety Data Sheets

54,512 data sheets containing data and safety information on chemicals and chemical mixtures

DIALOG

Merck Index Online

Online version of the Merck Index, an encyclopedia of chemicals, drugs and biological substances in use.

DIALOG

QUESTEL-ORBIT

NME Express: New Molecular Entities (produced by Prous Science Publishers)

Compounds chosen for pharmacological evaluation, structural improvements that improve drug activity or add diversity to known mechanistic classes of drugs, and compounds useful for investigating the role of different drug targets

DIALOG

PAPERCHEM [supplied by the Institute of Paper Science and Technology (IPST)]

Patent and journal literature related to paper technology and paper chemistry

DIALOG (information provided by PAPERCHEM is limited to members of IPST or Academic Institutions)

Pesticide Fact File

Data on pesticides and their ingredients

DIALOG

PLASPEC Materials Selection Database

Data on commercial plastics

STN

Polymer Online (produced by John Wiley & Sons, Inc.)

Online version of the Encyclopedia of Polymer Science and Engineering

DIALOG

QPAT (full-text)

Covers USPTO and EPO patents; and PCT patent information since 1974

QUESTEL-ORBIT

The Regulated Chemicals Listing

Chemical substances on national inventories including but not limited to the Toxic Substances Control Act

STN(CHEMLIST)

TSCA Chemical Substances Inventory (produced by Dialog using data provided by the EPA)

Chemicals manufactured, imported, and used commercially in the U.S.

DIALOG

USPTO Full-Text Patents

All US patents from 1976 to the present

USPTO at www.uspto.gov

Who to Contact Regarding the Content of Specific Databases


Databases offered by DIALOG:
(Questions regarding file Content)
The Dialog Corporation
The Knowledge Center
11000 Regency Parkway, Suite 10
Cary, NC 27511

Telephone: 919-462-8600 or 800-334-2564
E-Mail: customer@dialog.com

Databases produced by Chemical Abstract Service (CAS or STN):
Chemical Abstracts Service
Customer Service
P.O. Box 3012
Columbus, OH 43210

Telephone: 614-447-3731 or 800-753-4227
E-Mail: help@cas.org

Databases Offered by Questel-Orbit:
Questel-Orbit at http://www.questel.orbit.com

European Patents Full-Text:
European Patent Office
Information Service
Schottenfeldgasse 29
Postfach 82
Vienna, A-1072 Austria

Beilstein Online:
Beilstein Information Systems GmbH
File Specific Helpdesk
Varrenstrappstrasse 40-42
Frankfurt, D-60486 Germany
Telephone: +49 069 7917 567

CHEMTOX Online
Resource Consultants, Inc
P.O. Box 1848
Brentwood, TN 37027

CLAIMS Compound Registry:
IFI/Plenum Data Corporation
Customer Services
3202 Kirkwood Highway
Wilmington, DE 19808

Telephone: 302-998-0478 or 800-331-4955
E-Mail: claims@ifiplenum.com

The Chapman and Hall Chemical Database:
Chapman and Hall, LTD
2-6 Boundary Row
London, SE1 8HN
United Kingdom

The Derwent Drug Registry File:
Derwent Inc.
1420 Spring Hill Road
Suite 525
McLean, VA 22102

Telephone: 703-793-0400 or 800-451-3451

World Patent Index
Derwent Information
1725 Duke Street, Suite 250
Alexandria, VA 22314

Telephone: 800-451-3551
E-mail: info@derwent.com

The Royal Society of Chemistry:
Royal Society of Chemistry
Thomas Graham House, Science Park
Milton Road
Cambridge, United Kingdom

Telephone: +44-1223-432360 or 800- 473-9234
E-mail: marketing@rcs.org

Prous Science Publishers:
Prous Science Publishers
Apartado de Correos 540
Barcelona, 08080 Spain

Telephone: 34-3-459-2220

The British Crop Protection Council:
The British Crop Protection Council
49 Downing Street
Farnham, Surrey GU9 7PH
United Kingdom

Telephone: +44 (0)252 733072
E-mail: pm@bcpc.org

The Merck Index Online:
Merck and Company, Inc.
Box 2000
Rahway, NJ 07065-0900

Telephone: 732-594-7143

IFI/Plenum DataCorporation (PLASPEC):
IFI/PLENUM Data Corporation
3202 Kirkwood Hwy.
Wilmington, DE 19808

Telephone: 800-331-4955 or 302-998-0478

John Wiley & Sons, Inc. (Polymer Online):
John Wiley & Sons, Inc.
605 3rd Avenue
New York, NY 10158

Telephone: 212-850-6408


The Institute of Paper Science and Technology (PAPERCHEM):
The Institute of Paper Science and Technology
Database Manager, Information Services Division
500 10th St. NW
Atlanta, GA 30318

Telephone: 404-894-5726
E-mail: info.support@ipst.edu


A Primer For Searching Chemical Database



A number of chemical databases are available to browse on the World Wide
Club for the Chemical Community web page at chemweb.com. The web page
includes databases such as Beilstein Abstracts, ChemInform, Medline, IFI
Claims/US patents, Chapman Hall/CRC Combined Chemical Dictionary, and
ChemDex. The information retrieved from many of these databases is limited, but a
price list is available for obtaining full-text information. More importantly this web
page provides the opportunity to practice searching chemical databases including
structure databases. Access to these databases is free but you will be required to join
the club. (Joining the club is also free.)
Additionally, the USPTO patent databases can be searched free of charge.
Effective searches of the USPTO patent databases can be performed using the names
of relevant functional groups, chemical names, reactants, or products. Additionally,
effective search terms may include terms associated with the chemicals use.