⚠ 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 | |
|---|---|---|---|---|
| Terbuthylazine SCHEMBL7580444 | 0.93 | — | — | |
| Terbutryne SCHEMBL7586950 | 0.92 | — | — | |
| Terbutryne SCHEMBL7584905 | 0.90 | — | — | |
| Terbutryne SCHEMBL7586968 | 0.90 | — | — | |
| Simazine SCHEMBL7583457 | 0.88 | — | — | |
| Cyanazine SCHEMBL7587602 | 0.87 | — | — | |
| Terbuthylazine SCHEMBL7586199 | 0.85 | — | — | |
| SCHEMBL29462399 | 0.84 | CHRM1 (0.31) | — | |
| SCHEMBL5420505 | 0.84 | CHRM1 (0.31) | — | |
| SCHEMBL39404 | 0.84 | CHRM1 (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 |