⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19105201 | 0.81 | TSHR (0.39) | — | |
| SCHEMBL93534 | 0.81 | — | — | |
| SCHEMBL148791 | 0.79 | — | — | |
| Ethylene SCHEMBL624961 | 0.79 | TSHR (0.38) | — | |
| SCHEMBL525402 | 0.77 | — | — | |
| SCHEMBL9204365 | 0.77 | — | — | |
| Ethylene SCHEMBL19516509 | 0.77 | TSHR (0.37) | — | |
| SCHEMBL480449 | 0.77 | — | — | |
| SCHEMBL6429658 | 0.77 | — | — | |
| SCHEMBL4299558 | 0.77 | — | — |
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 |