⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11542462 | 0.72 | SOAT1 (0.39) | — | |
| SCHEMBL11540280 | 0.69 | SOAT1 (0.41) | — | |
| SCHEMBL11543200 | 0.67 | S100A4 (0.39) | — | |
| SCHEMBL1145986 | 0.66 | — | — | |
| SCHEMBL160163 | 0.65 | — | — | |
| SCHEMBL3201257 | 0.65 | CYP1A2 (0.32) | — | |
| SCHEMBL14403109 | 0.62 | — | — | |
| SCHEMBL18950235 | 0.62 | — | — | |
| SCHEMBL4195110 | 0.61 | — | — | |
| SCHEMBL1340149 | 0.60 | — | — |
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-0448726-B1 | 2-SUBSTITUTED 2-CYCLOPENTENONE AND CARCINOSTATIC AGENT AND OSTEOGENESIS PROMOTER CONTAINING THE SAME AS ACTIVE INGREDIENT | TEIJIN LTD (JP) | 1996-04-24 | — | — | EP | disclosed |
| US-5338844-A | 2-substituted-2-cyclopentenone compound and anticancer agent and bone formation accelerator comprising same as active ingredient | TEIJIN LIMITED (JP) | 1994-08-16 | — | — | US | disclosed |
| EP-0448726-A1 | 2-SUBSTITUTED 2-CYCLOPENTENONE AND CARCINOSTATIC AGENT AND OSTEOGENESIS PROMOTER CONTAINING THE SAME AS ACTIVE INGREDIENT | TEIJIN LIMITED (JP) | 1991-10-02 | — | — | EP | disclosed |