⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL662249 | 0.72 | — | — | |
| SCHEMBL13474552 | 0.72 | — | — | |
| SCHEMBL2631205 | 0.72 | — | — | |
| SCHEMBL17420615 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL19115283 | 0.72 | — | — | |
| SCHEMBL2228600 | 0.72 | ALDH1A1 (0.40) | — | |
| SCHEMBL372402 | 0.72 | LMNA (0.32) | — | |
| SCHEMBL46366 | 0.72 | LMNA (0.33) | — | |
| SCHEMBL25346880 | 0.72 | GPR119 (0.31) | — | |
| SCHEMBL2214788 | 0.72 | ALDH1A1 (0.33) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3500556-B1 | PYRIDINE-1-OXIDE DERIVATIVES AND THEIR USE AS FACTOR XIA INHIBITORS | MERCK SHARP & DOHME LLC (US) | 2023-08-02 | — | — | EP | disclosed |
| EP-2347653-A2 | Animal ectoparasite control composition | Sumitomo Chemical Company, Limited (JP) | 2011-07-27 | — | — | EP | disclosed |
| US-7427616-B2 | Condensed pyridines and pyrimidines with tie2 (TEK) activity | ASTRAZENECA AB (SE) | 2008-09-23 | — | — | US | disclosed |
| US-20050256140-A1 | Condensed pyridines and pyrimidines with tie2 (tek) activity | ASTRAZENECA AB (SE) | 2005-11-17 | — | — | US | disclosed |
| EP-1537112-A1 | CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY | Astrazeneca AB (SE) | 2005-06-08 | — | — | EP | disclosed |
| WO-2004013141-A1 | CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY | ASTRAZENECA AB (SE) | 2004-02-12 | — | — | WO | disclosed |