⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL27343833 | 0.96 | TSHR (0.32) | — | |
| SCHEMBL3613980 | 0.82 | — | — | |
| SCHEMBL6742333 | 0.80 | — | — | |
| SCHEMBL385981 | 0.76 | — | — | |
| SCHEMBL4486364 | 0.76 | — | — | |
| Cyanate SCHEMBL11282373 | 0.74 | PRKCA (0.32) | — | |
| SCHEMBL7719561 | 0.74 | TSHR (0.30) | — | |
| SCHEMBL6245827 | 0.73 | — | — | |
| SCHEMBL15750846 | 0.73 | — | — | |
| SCHEMBL27821531 | 0.71 | — | — |
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 |