⚠ 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 | |
|---|---|---|---|---|
| Bispyribac SCHEMBL7589005 | 0.86 | NPSR1 (0.36) | — | |
| 3,6 Dichloromethoxybenzoic Acid SCHEMBL7582008 | 0.83 | ALDH1A1 (0.41) | — | |
| SCHEMBL39177 | 0.81 | MAPT (0.37) | — | |
| SCHEMBL5467830 | 0.81 | MAPT (0.37) | — | |
| Clopyralid SCHEMBL7579092 | 0.81 | KMT2A (0.32) | — | |
| SCHEMBL7578701 | 0.80 | NPSR1 (0.35) | — | |
| Quinmerac SCHEMBL7587047 | 0.78 | ALK (0.37) | — | |
| Halosulfuron SCHEMBL7581276 | 0.77 | GAA (0.33) | — | |
| SCHEMBL7580050 | 0.76 | MAPT (0.31) | — | |
| SCHEMBL7591857 | 0.75 | GAA (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 |