⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27405311 | 0.74 | — | — | |
| SCHEMBL4349256 | 0.74 | — | — | |
| SCHEMBL4956017 | 0.73 | CA12 (0.44) | — | |
| SCHEMBL10158177 | 0.70 | CA12 (0.42) | — | |
| SCHEMBL4322475 | 0.70 | ALDH1A1 (0.48) | — | |
| SCHEMBL1145651 | 0.69 | — | — | |
| SCHEMBL23301438 | 0.69 | GRIN1 (0.32) | — | |
| SCHEMBL10272017 | 0.69 | HPGD (0.41) | — | |
| SCHEMBL23301041 | 0.69 | MAPT (0.47) | — | |
| SCHEMBL24271048 | 0.69 | CYP2D6 (0.52) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7473669-B2 | Substituted 4,5-dihydro-1,2,4-triazin-6-ones, 1,2,4-triazin-6-ones, and their use as fungicides | DOW AGROSCIENCES LLC (US) | 2009-01-06 | — | — | US | disclosed |
| EP-1881966-A2 | SUBSTITUTED 4,5-DIHYDRO-1,2,4-TRIAZIN-6-ONES, 1,2,4-TRIANZIN-6-ONES, AND THEIR USE AS FUNGICIDES | Dow AgroSciences LLC (US) | 2008-01-30 | — | — | EP | disclosed |
| WO-2006119400-A2 | SUBSTITUTED 4,5-DIHYDRO-1,2,4-TRIAZIN-6-ONES, 1,2,4-TRIANZIN-6-ONES, AND THEIR USE AS FUNGICIDES | DOW AGROSCIENCES LLC (US) | 2006-11-09 | — | — | WO | disclosed |
| US-20060252755-A1 | Substituted 4,5-dihydro-1,2,4-triazin-6-ones, 1,2,4-triazin-6-ones, and their use as fungicides | DOW AGROSCIENCES LLC | 2006-11-09 | — | — | US | disclosed |