⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31515211 | 0.86 | PGR (0.33) | — | |
| SCHEMBL31515328 | 0.82 | OPRL1 (0.32) | — | |
| SCHEMBL31515222 | 0.79 | — | — | |
| SCHEMBL31430382 | 0.79 | — | — | |
| SCHEMBL31430268 | 0.73 | PRMT5 (0.34) | — | |
| SCHEMBL31430212 | 0.72 | OPRM1 (0.31) | — | |
| SCHEMBL31515315 | 0.70 | — | — | |
| SCHEMBL31515226 | 0.69 | PGR (0.36) | — | |
| SCHEMBL31430361 | 0.68 | EPHX2 (0.48) | — | |
| SCHEMBL31515190 | 0.68 | MAP4K1 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2025092818-A1 | PYRIDINE DERIVATIVE AND USE THEREOF IN MEDICINE | 康百达（四川）生物医药科技有限公司 | 2025-05-08 | — | — | WO | disclosed |