⚠ 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 | |
|---|---|---|---|---|
| Alachlor SCHEMBL7581264 | 0.95 | — | — | |
| Acetochlor SCHEMBL7584922 | 0.94 | ALDH1A1 (0.32) | — | |
| Alachlor SCHEMBL7581569 | 0.93 | TP53 (0.34) | — | |
| Metolachor SCHEMBL7579358 | 0.91 | — | — | |
| Alachlor SCHEMBL7581364 | 0.90 | — | — | |
| Acetochlor SCHEMBL7575848 | 0.90 | ALDH1A1 (0.30) | — | |
| Acetochlor SCHEMBL7576419 | 0.87 | ALDH1A1 (0.37) | — | |
| Metolachor SCHEMBL7588475 | 0.87 | — | — | |
| Acetochlor SCHEMBL7580220 | 0.84 | ALDH1A1 (0.32) | — | |
| Metolachor SCHEMBL7581925 | 0.83 | MEN1 (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 |