⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4442194 | 0.69 | — | — | |
| SCHEMBL4442189 | 0.69 | — | — | |
| SCHEMBL2058660 | 0.69 | — | — | |
| SCHEMBL2058658 | 0.69 | — | — | |
| SCHEMBL17347136 | 0.67 | — | — | |
| SCHEMBL1679832 | 0.67 | — | — | |
| SCHEMBL1679830 | 0.67 | — | — | |
| SCHEMBL1679919 | 0.67 | — | — | |
| SCHEMBL1679915 | 0.67 | — | — | |
| SCHEMBL1679829 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |