⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11378231 | 0.82 | ALDH1A1 (0.36) | — | |
| SCHEMBL3431936 | 0.78 | — | — | |
| SCHEMBL2133067 | 0.78 | — | — | |
| SCHEMBL167809 | 0.78 | — | — | |
| SCHEMBL10645911 | 0.78 | — | — | |
| SCHEMBL17580801 | 0.78 | — | — | |
| SCHEMBL8958487 | 0.77 | F2RL1 (0.36) | — | |
| SCHEMBL1387494 | 0.74 | — | — | |
| SCHEMBL7804902 | 0.74 | — | — | |
| SCHEMBL7406986 | 0.74 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |