⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9546066 | 0.80 | — | — | |
| SCHEMBL9546383 | 0.74 | PPARG (0.31) | — | |
| SCHEMBL9546377 | 0.74 | PTGER3 (0.33) | — | |
| SCHEMBL9546318 | 0.72 | TRPA1 (0.43) | — | |
| SCHEMBL9546323 | 0.72 | TRPA1 (0.43) | — | |
| SCHEMBL11250676 | 0.69 | PTGER2 (0.40) | — | |
| SCHEMBL11250679 | 0.69 | PTGER2 (0.40) | — | |
| SCHEMBL9546100 | 0.67 | TRPA1 (0.34) | — | |
| SCHEMBL11046421 | 0.67 | PDE4D (0.37) | — | |
| SCHEMBL11046420 | 0.67 | PDE4D (0.37) | — |
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-0338796-B1 | 2-SUBSTITUTED-2-CYCLOPENTENONES | TEIJIN LIMITED (JP) | 1993-03-10 | — | — | EP | disclosed |
| US-5116869-A | Antitumor Agents, Bone Formation Accelerator | TEIJIN LIMITED (JP) | 1992-05-26 | — | — | US | disclosed |
| EP-0338796-A2 | 2-Substituted-2-cyclopentenones | TEIJIN LIMITED (JP) | 1989-10-25 | — | — | EP | disclosed |