⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10702522 | 1.00 | ALDH1A1 (0.38) | — | |
| SCHEMBL6356846 | 1.00 | ALDH1A1 (0.38) | — | |
| SCHEMBL6349538 | 1.00 | ALDH1A1 (0.38) | — | |
| SCHEMBL6349470 | 1.00 | — | — | |
| SCHEMBL1855695 | 0.97 | — | — | |
| SCHEMBL1309745 | 0.87 | — | — | |
| SCHEMBL28851163 | 0.84 | — | — | |
| SCHEMBL8769944 | 0.83 | — | — | |
| SCHEMBL8769971 | 0.79 | — | — | |
| Magnesium Chloride Anhydrous SCHEMBL20767787 | 0.79 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |