⚠ 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 | |
|---|---|---|---|---|
| Dimethachlor SCHEMBL7574977 | 0.88 | NTRK1 (0.33) | — | |
| Acetochlor SCHEMBL7577983 | 0.85 | TP53 (0.47) | — | |
| Alachlor SCHEMBL7585255 | 0.82 | TP53 (0.44) | — | |
| Metolachor SCHEMBL7582807 | 0.81 | ALDH1A1 (0.39) | — | |
| Pretilachlor SCHEMBL7585000 | 0.81 | NR1I2 (0.47) | — | |
| SCHEMBL7535199 | 0.80 | NTRK1 (0.37) | — | |
| SCHEMBL7561296 | 0.79 | ALDH1A1 (0.33) | — | |
| SCHEMBL38910 | 0.79 | ALDH1A1 (0.33) | — | |
| SCHEMBL30750946 | 0.79 | ALDH1A1 (0.33) | — | |
| Acetochlor SCHEMBL7589014 | 0.79 | TP53 (0.39) | — |
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 |