⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9825226 | 0.79 | POLB (0.32) | — | |
| SCHEMBL11636830 | 0.76 | ALDH1A1 (0.34) | — | |
| SCHEMBL3560704 | 0.74 | — | — | |
| SCHEMBL12146144 | 0.72 | — | — | |
| SCHEMBL1981268 | 0.71 | ALDH1A1 (0.45) | — | |
| SCHEMBL14972723 | 0.70 | — | — | |
| SCHEMBL13548742 | 0.70 | — | — | |
| SCHEMBL7824635 | 0.69 | PTPN2 (0.58) | — | |
| SCHEMBL546304 | 0.68 | PTK2 (0.59) | — | |
| SCHEMBL7616569 | 0.67 | PTK2 (0.44) | — |
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-7652059-B2 | 1-methyl-4-trifluoromethyl-1H-pyrrole-3-carboxylic acid [2-(1,3-dimethylbutyl)phenyl]amide; protecting plants against infestation by phytopathogenic microorganisms | SYNGENTA CROP PROTECTION, INC. (US) | 2010-01-26 | — | — | US | disclosed |