⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29462399 | 0.85 | CHRM1 (0.31) | — | |
| SCHEMBL39404 | 0.85 | CHRM1 (0.31) | — | |
| SCHEMBL5420505 | 0.85 | CHRM1 (0.31) | — | |
| Metamitron SCHEMBL7589475 | 0.80 | PTAFR (0.33) | — | |
| Clopyralid SCHEMBL7580437 | 0.80 | PTAFR (0.30) | — | |
| Pyrazole SCHEMBL8003649 | 0.80 | — | — | |
| Aclonifen SCHEMBL7579258 | 0.80 | MEN1 (0.37) | — | |
| Clomazone SCHEMBL7586571 | 0.79 | TSHR (0.34) | — | |
| Difenzoquat SCHEMBL7580973 | 0.79 | — | — | |
| Thidiazuron SCHEMBL7590312 | 0.79 | TDP1 (0.31) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20020004457-A1 | Herbicidal composition | SYNGENTA PARTICIPATIONS AG (CH) | 2002-01-10 | — | — | US | disclosed |