Recently I was discussing with my friends and colleagues that what are different means to get the chemical structure of a compound searched using various data bases especially in those cases where we don’t know the molecular formula or substructure or CAS number of chemical compound. We can’t get them in STN or SciFinder. I mean if we only knows a code for such a compound for e.g. YH008 etc then how will we reach the structure? What will be search strategy? Is there any particular software for the same? The code may be for a pharmaceutically useful chemical moiety and some time we require it to give freedom to operate opinion etc.
The following could be a strategy; we should first start with goggling around to get some more information about the molecule and also collect what other information we have in hand.
It is unlikely that the code would be used in a patent application. Our best bet for finding a compound by a code is to search the chemical literature, the medicinal chemical literature, as well as meeting and conference proceedings. PubMed is a good place to start, then some of the databases available on STN. The scientists involved with the research have probably published.
The chance of presenting in any seminar or making a patent under the code also seen. Though we are not always getting the details about the product through patent or journal search at least we can get some reference which will help to get the structure. Also take advantage of any other information that you have, such as the company involved, and the names of any researchers.
Inventors can use the lab code for compound. Code may be company’s internal code. Usually such coding is given when the research molecule is still under investigation; say for instance if it is in CLINICAL TRIALS.
Apart from CAS you we may also try following European databases:
European Inventory of Existing Commercial Chemical Substances
European List of Notified Chemical Substances
The code structure is XXX-XXX-X.
European Inventory of Existing Commercial Chemical Substances
European List of Notified Chemical Substances
The code structure is XXX-XXX-X.
If after the efforts, the search results are negative in all three above we can say that the number, like YH008 might is the coding used by a single company to identify their internal intermediate or final product. In this case the structure is usually not public domain.
There may be some companies involved in producing various database tools. Those companies could also help.
There may be some companies involved in producing various database tools. Those companies could also help.
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