⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4970668 | 0.75 | CA2 (0.33) | — | |
| SCHEMBL7707496 | 0.71 | CA2 (0.38) | — | |
| SCHEMBL21244408 | 0.69 | CA12 (0.38) | — | |
| SCHEMBL28882727 | 0.69 | CA1 (0.34) | — | |
| SCHEMBL28611927 | 0.69 | CA1 (0.35) | — | |
| SCHEMBL28294972 | 0.69 | CA1 (0.38) | — | |
| SCHEMBL9039525 | 0.64 | KMT2A (0.40) | — | |
| SCHEMBL22021261 | 0.63 | — | — | |
| SCHEMBL3954969 | 0.62 | CA1 (0.34) | — | |
| SCHEMBL3948762 | 0.58 | CA2 (0.38) | — |
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-1745032-B1 | CXCR1 and CXCR2 chemokine antagonists | MERCK SHARP & DOHME (US) | 2013-07-31 | — | — | EP | disclosed |
| US-7326729-B2 | CXCR1 and CXCR2 chemokine antagonists | SCHERING CORPORATION (US) | 2008-02-05 | — | — | US | disclosed |
| US-20070248594-A1 | CXCR1 AND CXCR2 CHEMOKINE ANTAGONISTS | SCHERING CORPORATION | 2007-10-25 | — | — | US | disclosed |
| EP-1745032-A2 | CXCR1 AND CXCR2 CHEMOKINE ANTAGONISTS | Schering Cooperation (US) | 2007-01-24 | — | — | EP | disclosed |
| US-20060014794-A1 | CXCR1 and CXCR2 chemokine antagonists | SCHERING CORPORATION | 2006-01-19 | — | — | US | disclosed |
| WO-2005113534-A2 | CXCR1 AND CXCR2 CHEMOKINE ANTAGONISTS | SCHERING CORPORATION (US) | 2005-12-01 | — | — | WO | disclosed |