⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28299760 | 0.85 | ALDH1A1 (0.60) | — | |
| SCHEMBL28298347 | 0.83 | XDH (0.52) | — | |
| SCHEMBL28298337 | 0.83 | ALDH1A1 (0.48) | — | |
| SCHEMBL28298335 | 0.82 | ALDH1A1 (0.53) | — | |
| SCHEMBL28299752 | 0.80 | MEN1 (0.47) | — | |
| SCHEMBL28298329 | 0.79 | NPC1 (0.51) | — | |
| SCHEMBL28299754 | 0.78 | XDH (0.53) | — | |
| SCHEMBL28873606 | 0.77 | GRM4 (0.60) | — | |
| SCHEMBL28299808 | 0.72 | ALDH1A1 (0.58) | — | |
| SCHEMBL399653 | 0.70 | ALDH1A1 (0.60) | — |
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-106674098-B | N- (3- cyano -4- alkoxyl phenyl) pyridine carboxamides and application thereof | 中国医科大学 | 2019-07-02 | — | — | CN | disclosed |