⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31430345 | 0.85 | LPL (0.33) | — | |
| SCHEMBL31430430 | 0.76 | PDE7A (0.34) | — | |
| SCHEMBL31430344 | 0.76 | LPL (0.36) | — | |
| SCHEMBL31430239 | 0.74 | BACE1 (0.31) | — | |
| SCHEMBL31116981 | 0.74 | PGR (0.33) | — | |
| SCHEMBL16427200 | 0.74 | LPL (0.36) | — | |
| SCHEMBL31430348 | 0.74 | NMT1 (0.33) | — | |
| SCHEMBL18189549 | 0.70 | AHR (0.43) | — | |
| SCHEMBL2523103 | 0.67 | LPL (0.47) | — | |
| SCHEMBL4789211 | 0.67 | LPL (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 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 |