⚠ 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 | |
|---|---|---|---|---|
| Boric Acid SCHEMBL25319635 | 0.83 | — | — | |
| SCHEMBL15827583 | 0.75 | THRB (0.38) | — | |
| SCHEMBL787220 | 0.67 | THRB (0.43) | — | |
| SCHEMBL22470611 | 0.67 | THRB (0.43) | — | |
| SCHEMBL194318 | 0.67 | THRB (0.43) | — | |
| SCHEMBL5830842 | 0.65 | — | — | |
| SCHEMBL12493615 | 0.65 | — | — | |
| SCHEMBL8637 | 0.65 | THRB (0.30) | — | |
| SCHEMBL615411 | 0.63 | — | — | |
| SCHEMBL9939735 | 0.63 | — | — |
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-112105608-A | Process for preparing (1- (3-fluoro-2- (trifluoromethyl) isonicotinanyl) piperidin-4-one) | 因赛特公司 | 2020-12-18 | — | — | CN | disclosed |