⚠ 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 SCHEMBL7583547 | 0.86 | ITGB1 (0.30) | — | |
| Acetochlor SCHEMBL7586056 | 0.84 | TP53 (0.49) | — | |
| Alachlor SCHEMBL7578968 | 0.81 | TP53 (0.46) | — | |
| Metolachor SCHEMBL7589993 | 0.80 | ALDH1A1 (0.40) | — | |
| SCHEMBL44446 | 0.79 | ALDH1A1 (0.38) | — | |
| SCHEMBL4897613 | 0.79 | ALDH1A1 (0.38) | — | |
| Acetochlor SCHEMBL7589092 | 0.78 | TP53 (0.40) | — | |
| Acetochlor SCHEMBL7589894 | 0.77 | TP53 (0.41) | — | |
| Metazachlor SCHEMBL7589317 | 0.76 | POLB (0.31) | — | |
| Acetochlor SCHEMBL7582253 | 0.76 | TP53 (0.40) | — |
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 |