⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11030849 | 1.00 | — | — | |
| SCHEMBL11077143 | 0.98 | — | — | |
| SCHEMBL11028209 | 0.90 | PDE4A (0.32) | — | |
| SCHEMBL11027723 | 0.90 | ALDH1A1 (0.36) | — | |
| SCHEMBL11027253 | 0.87 | — | — | |
| SCHEMBL11162203 | 0.86 | ADORA3 (0.33) | — | |
| SCHEMBL11028744 | 0.85 | HTT (0.33) | — | |
| SCHEMBL11162514 | 0.83 | ADORA3 (0.32) | — | |
| SCHEMBL11027858 | 0.81 | L3MBTL1 (0.43) | — | |
| SCHEMBL11030573 | 0.78 | PDE4A (0.40) | — |
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-0078784-B1 | THIO-SUBSTITUTED-1,3,5-TRIAZINE-DIAMINES AND -TRIAMINES USEFUL AS PREVULCANIZATION INHIBITORS | MONSANTO COMPANY (US) | 1985-07-03 | — | — | EP | disclosed |
| US-4460769-A | Thio-amino-1,3,5-triazines | MONSANTO COMPANY (US) | 1984-07-17 | — | — | US | disclosed |
| EP-0078784-A1 | Thio-substituted-1,3,5-triazine-diamines and -triamines useful as prevulcanization inhibitors | MONSANTO COMPANY (US) | 1983-05-11 | — | — | EP | disclosed |
| US-4380609-A | Prevulcanization inhibitors of thio-triazine-amines for rubber | MONSANTO COMPANY (US) | 1983-04-19 | — | — | US | disclosed |