⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4074044 | 0.80 | MAP4K1 (0.30) | — | |
| SCHEMBL4083135 | 0.67 | ALDH1A1 (0.35) | — | |
| SCHEMBL4715343 | 0.59 | CA1 (0.41) | — | |
| SCHEMBL32668778 | 0.57 | BTN3A1 (0.33) | — | |
| SCHEMBL1485422 | 0.57 | BTN3A1 (0.33) | — | |
| SCHEMBL1485424 | 0.57 | BTN3A1 (0.33) | — | |
| SCHEMBL23606869 | 0.57 | — | — | |
| SCHEMBL221028 | 0.57 | MAPK1 (0.32) | — | |
| SCHEMBL13325246 | 0.57 | MAPK1 (0.32) | — | |
| SCHEMBL4420207 | 0.57 | MAPK1 (0.32) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7482355-B2 | Asthma, antiallergens; rheumatoid arthritis and atherosclerosis; 2-(Benzylthio)-6-{[(1R)-2-hydroxy-1-methylethyl]amino}-4-pyrimidinol | ASTRAZENECA AB (SE) | 2009-01-27 | — | — | US | disclosed |
| EP-1539713-B1 | PYRIMIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | ASTRAZENECA AB (SE) | 2007-12-19 | — | — | EP | disclosed |
| US-20060004030-A1 | Pyrimidine derivatives as modulators of chemokine receptor activity | ASTRAZENECA AB (SE) | 2006-01-05 | — | — | US | disclosed |