⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9628881 | 0.89 | — | — | |
| SCHEMBL10957714 | 0.86 | — | — | |
| SCHEMBL10961398 | 0.83 | — | — | |
| Alcohol SCHEMBL1240463 | 0.81 | ALDH1A1 (0.35) | — | |
| SCHEMBL10956749 | 0.81 | — | — | |
| SCHEMBL10956912 | 0.80 | — | — | |
| SCHEMBL2749023 | 0.79 | — | — | |
| SCHEMBL8278 | 0.78 | — | — | |
| SCHEMBL15319537 | 0.76 | — | — | |
| Hydroxyamine SCHEMBL9902146 | 0.75 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5081152-A | AZULENE DERIVATIVES AS THROMBOXANE A2 AND PROSTAGLANDIN ENDOPEROXIDE RECEPTOR ANTAGONIST | KOTOBUKI SEIYAKU CO., LTD. (JP) | 1992-01-14 | — | — | US | disclosed |