⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31515222 | 1.00 | — | — | |
| SCHEMBL31515226 | 0.85 | PGR (0.36) | — | |
| SCHEMBL31430395 | 0.81 | PGR (0.39) | — | |
| SCHEMBL31515199 | 0.80 | EPHX2 (0.35) | — | |
| SCHEMBL31430181 | 0.79 | — | — | |
| SCHEMBL31515326 | 0.79 | — | — | |
| SCHEMBL31430426 | 0.78 | — | — | |
| SCHEMBL31430361 | 0.78 | EPHX2 (0.48) | — | |
| SCHEMBL31430174 | 0.75 | EPHX2 (0.38) | — | |
| SCHEMBL31430397 | 0.73 | EPHX2 (0.49) | — |
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-119462695-A | Pyridine derivative and application thereof | 康百达（四川）生物医药科技有限公司 | 2025-02-18 | — | — | CN | disclosed |