⚠ 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 | |
|---|---|---|---|---|
| Pretilachlor SCHEMBL7587019 | 0.88 | NR1I2 (0.40) | — | |
| Acetochlor SCHEMBL7586131 | 0.88 | TP53 (0.40) | — | |
| Metazachlor SCHEMBL7585789 | 0.88 | — | — | |
| Alachlor SCHEMBL7582763 | 0.88 | TP53 (0.37) | — | |
| Metolachor SCHEMBL7577549 | 0.87 | MAPT (0.35) | — | |
| Dimethenamid SCHEMBL7587736 | 0.83 | THRB (0.42) | — | |
| Acetochlor SCHEMBL7577734 | 0.83 | ALDH1A1 (0.35) | — | |
| Alachlor SCHEMBL7580425 | 0.83 | TP53 (0.32) | — | |
| Metolachor SCHEMBL7587985 | 0.82 | MAPT (0.32) | — | |
| SCHEMBL5420505 | 0.82 | CHRM1 (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 |