enaminestore tutorial: how to use online tools to find analogues to a given molecule

How to Find Analogues at EnamineStore? EnamineStore is a powerful online tool for finding analogues of a given molecule as well as generating novel and sometimes unintuitive ideas.

EnamineStore Tutorial

Draw a molecule in the search form and use

“Substructure” search to find analogs containing the exact fragment that

you have drawn.

Chose building blocks or screening compounds

Use “Similarity” search to find analogues containing similar structural motifs, not limited to your exact

fragment. We suggest to select 0,9 similarity score to target only the most relevant analogues

When you get search results, you can continue search for analogs using more advanced tools:

Use “Find Analogues” functionality to retrieve the most relevant

suggestions by our inbuilt cheminformatics algorithm

If you still can’t find the right analogues, you can use “Request Analogues” feature at our website. Press the link Request analogues

below the molecule of your interest

Specify requirements for analogues, if needed

Submit request

Based on your request, within 1-2 days our chemists will email you back .sdf file with the most relevant analogues in stock and the ones which can be easily synthesized

using Enamine chemistry.

Thank you for your attention! Please, contact us at support@enaminestore.com in case you have additional questions about EnamineStore products and services www.enaminestore.com