Structure search for Chemistry and Pharmacy
R&D in the chemical and pharma industry requires fast and complete information on properties of relevant compounds and on any patent protection. Patent information, if obtained early, may help to avoid double or useless development and to purposefully use precious resources.
A compound’s identity and properties are defined by its molecular structure. Consequently, information on biological, pharmaceutical, and all other properties, on synthesis and patent protection, if any, are stored in databases together with a compound’s molecular structure.
Substance information is therefore best retrieved using the molecular structure. Alternatives such as searching a name or even a CAS registry number will often result in incomplete retrieval.
For example, complete information on the drug fluoxetine is best found by searching the following structure.
Similar compounds have similar properties, therefore a patent search often has to cover a whole group of similar compounds. Often one is interested in all compounds that share a common core structure. A substructure search on the example structure above will retrieve all known compounds that share the fluoxetine core structure and bear any further substituents.
Many as yet not synthesized compounds are nevertheless protected by patent law, if claimed in a patent document in a Markush structure, a structure containing generic variable symbols. These may be compounds bearing substituents in variable positions, having variable ring sizes or chain lengths, variable atom types, or many other variations. Such structures cannot be retrieved in the CAS Registry file or in the World Patents Index. Moreover, well-known compounds may be hidden in a Markush structure, such as fluoxetine in the following two structures.
In cases like these often a Markush structure search in special databases such as MARPAT on STN, or MMS on Questel/Orbit will succeed.
For more information on our searches call us at +49 761 383254, or send a fax to +49 761 383269) or an eMail message.
In a structure search, as in every search, the effort required is defined by your particular problem.
