⚠ 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 | |
|---|---|---|---|---|
| Atrazine SCHEMBL7588017 | 0.97 | PKM (0.30) | — | |
| Terbuthylazine SCHEMBL7582418 | 0.96 | TP53 (0.30) | — | |
| Simazine SCHEMBL7584339 | 0.93 | — | — | |
| Cyanazine SCHEMBL7579614 | 0.93 | — | — | |
| Glyphosate SCHEMBL7587193 | 0.92 | CASP3 (0.31) | — | |
| Atrazine SCHEMBL7584016 | 0.90 | — | — | |
| Simazine SCHEMBL7580629 | 0.90 | CASP3 (0.34) | — | |
| Terbutryne SCHEMBL7579570 | 0.90 | — | — | |
| Terbuthylazine SCHEMBL7585355 | 0.89 | — | — | |
| Atrazine SCHEMBL7589430 | 0.87 | PKM (0.34) | — |
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 |