⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31430236 | 0.87 | — | — | |
| SCHEMBL31430196 | 0.80 | PDE3B (0.41) | — | |
| SCHEMBL31515249 | 0.78 | PGR (0.33) | — | |
| SCHEMBL31430405 | 0.78 | PGR (0.33) | — | |
| SCHEMBL31430252 | 0.77 | PDE3B (0.36) | — | |
| SCHEMBL31430204 | 0.76 | CYP1A2 (0.30) | — | |
| SCHEMBL31430426 | 0.72 | — | — | |
| SCHEMBL31430325 | 0.71 | — | — | |
| SCHEMBL31430348 | 0.69 | NMT1 (0.33) | — | |
| SCHEMBL31515300 | 0.67 | PGR (0.42) | — |
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 2 patents. 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 |
| 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 |