⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9383712 | 0.72 | — | — | |
| SCHEMBL84187 | 0.71 | — | — | |
| SCHEMBL98480 | 0.70 | — | — | |
| SCHEMBL7299248 | 0.70 | — | — | |
| SCHEMBL8427777 | 0.65 | — | — | |
| SCHEMBL18316532 | 0.64 | — | — | |
| SCHEMBL8948962 | 0.64 | — | — | |
| SCHEMBL17366309 | 0.64 | — | — | |
| SCHEMBL16994588 | 0.63 | — | — | |
| SCHEMBL2400553 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20040063580-A1 | Bicyclic triazolone derivatives and a herbicides containing the same | SUMITOMO CHEMICAL TAKEDA AGRO COMPANY, LIMITED (JP) | 2004-04-01 | — | — | US | disclosed |
| EP-1333031-A1 | BICYCLIC TRIAZOLONE DERIVATIVES AND HERBICIDES CONTAINING THE SAME | Sumitomo Chemical Takeda Agro Company, Limited (JP) | 2003-08-06 | — | — | EP | disclosed |