⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9749334 | 0.77 | — | — | |
| SCHEMBL11165841 | 0.71 | — | — | |
| SCHEMBL29532832 | 0.68 | — | — | |
| SCHEMBL9435891 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL29240271 | 0.67 | — | — | |
| SCHEMBL9906964 | 0.67 | — | — | |
| SCHEMBL10642494 | 0.67 | — | — | |
| SCHEMBL19143432 | 0.60 | — | — | |
| SCHEMBL31216582 | 0.51 | — | — | |
| SCHEMBL23829586 | 0.46 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2001060797-A1 | PHENYL-SUBSTITUTED HETEROCYCLIC ENAMINONES | BAYER AKTIENGESELLSCHAFT (DE) | 2001-08-23 | — | — | WO | claimed |
| EP-0292822-A2 | Substituted nitroalkenes | BAYER AG (DE) | 1988-11-30 | — | — | EP | disclosed |