⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16860000 | 1.00 | — | — | |
| SCHEMBL316478 | 0.76 | — | — | |
| SCHEMBL130885 | 0.76 | — | — | |
| SCHEMBL851233 | 0.76 | — | — | |
| SCHEMBL730599 | 0.71 | TRPA1 (0.33) | — | |
| SCHEMBL2833674 | 0.71 | TRPA1 (0.33) | — | |
| SCHEMBL5420270 | 0.71 | — | — | |
| SCHEMBL2833673 | 0.71 | TRPA1 (0.33) | — | |
| SCHEMBL2833644 | 0.71 | TRPA1 (0.33) | — | |
| SCHEMBL2830982 | 0.71 | TRPA1 (0.33) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0413464-A2 | Catalysts | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-02-20 | — | — | EP | disclosed |
| EP-0413465-A2 | Catalysts | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-02-20 | — | — | EP | disclosed |
| EP-0405786-A2 | Catalysts | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-01-02 | — | — | EP | disclosed |
| EP-0323082-A2 | Catalysts | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1989-07-05 | — | — | EP | disclosed |