⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5612855 | 0.79 | — | — | |
| SCHEMBL8517242 | 0.72 | — | — | |
| SCHEMBL5848037 | 0.72 | — | — | |
| SCHEMBL5704894 | 0.66 | KDM4A (0.37) | — | |
| SCHEMBL9616686 | 0.64 | CCR1 (0.48) | — | |
| SCHEMBL6643593 | 0.63 | — | — | |
| SCHEMBL8939186 | 0.63 | — | — | |
| SCHEMBL4590581 | 0.62 | NPC1 (0.42) | — | |
| Hydrochloric Acid SCHEMBL8592781 | 0.62 | — | — | |
| SCHEMBL5138828 | 0.62 | BRD4 (0.35) | — |
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-0576199-B1 | Fungicidal and herbicidal triazoles | ROHM & HAAS (US) | 2001-08-01 | — | — | EP | disclosed |
| US-5397768-A | 1,2,4-triazoles | ROHM AND HAAS COMPANY (US) | 1995-03-14 | — | — | US | disclosed |
| EP-0576199-A2 | Fungicidal and herbicidal triazoles | ROHM AND HAAS COMPANY (US) | 1993-12-29 | — | — | EP | disclosed |
| US-5264415-A | 1,2,4-Triazole derivatives | ROHM AND HAAS COMPANY (US) | 1993-11-23 | — | — | US | disclosed |