⚠ 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 | |
|---|---|---|---|---|
| Simazine SCHEMBL7584005 | 0.96 | — | — | |
| Cyanazine SCHEMBL7584414 | 0.94 | — | — | |
| Atrazine SCHEMBL7586559 | 0.94 | — | — | |
| Terbuthylazine SCHEMBL7582994 | 0.89 | TP53 (0.33) | — | |
| Metolachor SCHEMBL7588078 | 0.87 | — | — | |
| Terbuthylazine SCHEMBL7578448 | 0.86 | TP53 (0.31) | — | |
| Terbuthylazine SCHEMBL7581067 | 0.84 | — | — | |
| Cyanazine SCHEMBL7583182 | 0.83 | PDE4A (0.33) | — | |
| Atrazine SCHEMBL7585407 | 0.82 | CYP2C19 (0.34) | — | |
| Simazine SCHEMBL7581378 | 0.82 | GAA (0.30) | — |
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 |