⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8124973 | 0.79 | — | — | |
| SCHEMBL8115228 | 0.79 | NOTUM (0.31) | — | |
| SCHEMBL8115349 | 0.76 | NOS1 (0.33) | — | |
| SCHEMBL15288191 | 0.75 | PLK4 (0.36) | — | |
| SCHEMBL5020238 | 0.74 | PBRM1 (0.43) | — | |
| SCHEMBL8115224 | 0.69 | NOS1 (0.33) | — | |
| SCHEMBL13712996 | 0.68 | TRPA1 (0.45) | — | |
| SCHEMBL8780980 | 0.67 | METAP2 (0.42) | — | |
| SCHEMBL5020276 | 0.67 | IDO1 (0.43) | — | |
| SCHEMBL5020179 | 0.67 | RAB9A (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1028945-A1 | SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS | Amgen Inc. (US) | 2000-08-23 | — | — | EP | disclosed |
| WO-1999024404-A1 | SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS | AMGEN INC. (US) | 1999-05-20 | — | — | WO | disclosed |