⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL6156810 | 1.00 | ALDH1A1 (0.38) | — | |
| SCHEMBL11606743 | 1.00 | ALDH1A1 (0.38) | — | |
| SCHEMBL6157837 | 1.00 | ALDH1A1 (0.38) | — | |
| SCHEMBL6161363 | 1.00 | — | — | |
| SCHEMBL6159440 | 0.97 | — | — | |
| SCHEMBL1006908 | 0.87 | — | — | |
| SCHEMBL1541496 | 0.83 | — | — | |
| SCHEMBL3499333 | 0.79 | — | — | |
| SCHEMBL11672310 | 0.73 | ALDH1A1 (0.42) | — | |
| SCHEMBL11014270 | 0.73 | TSHR (0.42) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1267560-C | Process for preparing stereoisomer carboxylate | BASF AG (DE) | 2006-08-02 | — | — | CN | disclosed |
| EP-1505156-B1 | Process for the enantioselective preparation of secondary alcohols by lipase catalysed solvolysis of the corresponding acetoacetic acid ester | CONSORTIUM ELEKTROCHEM IND (DE) | 2005-12-07 | — | — | EP | disclosed |
| US-20050032182-A1 | Process for the enantioselective preparation of secondary alcohols by lipase-catalyzed solvolysis of the corresponding acetoacetic esters | CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH | 2005-02-10 | — | — | US | disclosed |
| EP-1505156-A1 | Process for the enantioselective preparation of secondary alcohols by lipase catalysed solvolysis of the corresponding acetoacetic acid ester | Consortium für elektrochemische Industrie GmbH (DE) | 2005-02-09 | — | — | EP | disclosed |
| US-6365398-B1 | REACTING RACEMIC CARBOXYLIC ACID ESTER WITH RACEMIC ALCOHOL IN PRESENCE OF A CARBOXYL ESTER HYDROLASE | BASF AKTIENGESELLSCHAFT (DE) | 2002-04-02 | — | — | US | disclosed |
| CN-1266904-A | Process for preparing stereoisomer carboxylate | BASF AG (DE) | 2000-09-20 | — | — | CN | disclosed |
| EP-1031629-A2 | Method of preparation of stereoisomeric carboxylic acid esters | BASF AKTIENGESELLSCHAFT (DE) | 2000-08-30 | — | — | EP | disclosed |