⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28857959 | 0.80 | LMNA (0.37) | — | |
| SCHEMBL2913692 | 0.78 | LMNA (0.48) | — | |
| SCHEMBL56129 | 0.72 | — | — | |
| SCHEMBL4985635 | 0.71 | LMNA (0.53) | — | |
| SCHEMBL78983 | 0.70 | — | — | |
| SCHEMBL7535756 | 0.70 | — | — | |
| SCHEMBL4448898 | 0.70 | LMNA (0.40) | — | |
| SCHEMBL16715255 | 0.69 | — | — | |
| SCHEMBL23644661 | 0.68 | — | — | |
| SCHEMBL5683987 | 0.68 | OPRM1 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-115605468-A | Process for the preparation of 2-chloro-n- (1-cyanocyclopropyl) -5- [2' -methyl-5 ' - (pentafluoroethyl) -4' - (trifluoromethyl) -2'h-1,3' -bipyrazol-4-yl ] benzamide | 威隆股份公司（FR） | 2023-01-13 | — | — | CN | disclosed |