⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL361354 | 0.81 | TBXAS1 (0.31) | — | |
| SCHEMBL87779 | 0.78 | — | — | |
| SCHEMBL28241548 | 0.78 | — | — | |
| SCHEMBL4326682 | 0.78 | — | — | |
| SCHEMBL4365358 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL28305955 | 0.77 | NFKB1 (0.34) | — | |
| SCHEMBL1443753 | 0.75 | — | — | |
| SCHEMBL466459 | 0.75 | — | — | |
| SCHEMBL15511360 | 0.72 | TBXAS1 (0.42) | — | |
| Bromide SCHEMBL20573044 | 0.72 | TSHR (0.31) | — |
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 |