⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2542765 | 0.79 | — | — | |
| SCHEMBL620677 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL7173603 | 0.72 | — | — | |
| SCHEMBL2183872 | 0.70 | — | — | |
| SCHEMBL3110492 | 0.70 | — | — | |
| Betazole SCHEMBL157156 | 0.67 | — | — | |
| SCHEMBL9430796 | 0.67 | HCAR2 (0.42) | — | |
| SCHEMBL3400961 | 0.67 | PKM (0.36) | — | |
| SCHEMBL24649639 | 0.66 | — | — | |
| SCHEMBL3102534 | 0.66 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7659288-B2 | 5-[N-Methyl-N-(phthalimidomethyl)amino]-1-(2,6-dichloro-4-trifluoromethylphenyl)-3-cyano-4-trifluoromethylsulfinylpyrazole; used in oral form so as to prevent the possible contamination of humans or the surrounding environment; used in lower dose | MERIAL LIMITED (US) | 2010-02-09 | — | — | US | disclosed |
| US-20070149575-A1 | 5-Aminoalkylpyrazole derivatives as pesticidal agents | MERIAL, INC. | 2007-06-28 | — | — | US | disclosed |