⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL336074 | 0.67 | — | — | |
| SCHEMBL3754347 | 0.61 | — | — | |
| SCHEMBL8621147 | 0.55 | — | — | |
| SCHEMBL10751007 | 0.55 | — | — | |
| SCHEMBL4324422 | 0.55 | — | — | |
| SCHEMBL7215897 | 0.55 | — | — | |
| SCHEMBL4328507 | 0.55 | — | — | |
| SCHEMBL8625587 | 0.55 | — | — | |
| SCHEMBL11883487 | 0.53 | — | — | |
| SCHEMBL11137968 | 0.53 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7494996-B2 | Substituted 4,5-dihydro-1,2,4-triazin-6-ones, 1,2,4-triazin-6-ones and their use as fungicides and insecticides | DOW AGROSCIENCES LLC (US) | 2009-02-24 | — | — | US | disclosed |
| US-20040242580-A1 | Substituted 4,5-dihydro-1,2,4-triazin-6-ones, 1,2,4-triazin-6-ones and their use as fungicides and insecticides | KELLY MARTHA JEAN (US) | 2004-12-02 | — | — | US | disclosed |
| EP-0927171-B1 | PYRAZINONES AND TRIAZINONES AND THEIR DERIVATIVES THEREOF | DU PONT PHARM CO (US) | 2002-02-20 | — | — | EP | disclosed |
| US-6218391-B1 | CORTICOTROPIN RELEASING FACTOR (CRF) ANTAGONISTS USED IN THERAPY OF PSYCHIATRIC DISORDERS AND NEUROLOGICAL DISEASES SUCH AS MAJOR DEPRESSION, ANXIETY-RELATED DISORDER, POST-TRAUMATIC STRESS DISORDER, SUPRANUCLEAR PALSY | DUPONT PHARMACEUTICALS COMPANY | 2001-04-17 | — | — | US | disclosed |
| US-6159980-A | Pyrazinones and triazinones and their derivatives thereof | DUPONT PHARMACEUTICALS COMPANY (US) | 2000-12-12 | — | — | US | disclosed |
| EP-0367124-A1 | Penicillanic acid derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1990-05-09 | — | — | EP | disclosed |