⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10631347 | 1.00 | — | — | |
| SCHEMBL9323827 | 1.00 | — | — | |
| SCHEMBL11302103 | 0.78 | — | — | |
| SCHEMBL9637397 | 0.77 | — | — | |
| SCHEMBL21224705 | 0.75 | — | — | |
| SCHEMBL14441000 | 0.74 | — | — | |
| SCHEMBL8407632 | 0.74 | — | — | |
| SCHEMBL8407633 | 0.74 | — | — | |
| SCHEMBL9327170 | 0.72 | CYP19A1 (0.34) | — | |
| SCHEMBL10631499 | 0.71 | PPARG (0.30) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0357009-B1 | Method of resolution of hydroxy-cyclopentenones using a lipase and transacylation agents | SEARLE & CO (US) | 1994-03-02 | — | — | EP | disclosed |
| US-5106750-A | Enzymatic resolution of hydroxycyclopentenones using lipase | G. D. SEARLE & CO. (US) | 1992-04-21 | — | — | US | disclosed |
| EP-0357009-A2 | Method of resolution of hydroxy-cyclopentenones using a lipase and transacylation agents | G.D. Searle & Co. (US) | 1990-03-07 | — | — | EP | disclosed |
| US-4714782-A | Process for preparing optically active 4-hydroxy-2-cyclopentenones | SUMITOMO CHEMICAL CO., LTD. (JP) | 1987-12-22 | — | — | US | disclosed |
| EP-0153653-B1 | PROCESS FOR PREPARING OPTICALLY ACTIVE 4-HYDROXY-2-CYCLIPENTENONES | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1987-09-30 | — | — | EP | disclosed |
| EP-0153653-A1 | Process for preparing optically active 4-hydroxy-2-cyclipentenones | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1985-09-04 | — | — | EP | disclosed |