⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9016 | 0.97 | — | — | |
| SCHEMBL15349416 | 0.97 | CES2 (0.43) | — | |
| Bromide SCHEMBL4972227 | 0.94 | — | — | |
| Benzene SCHEMBL28255073 | 0.94 | DAO (0.46) | — | |
| SCHEMBL28210943 | 0.94 | — | — | |
| Hydrogen Sulfide SCHEMBL28815401 | 0.94 | — | — | |
| Methane SCHEMBL1154428 | 0.94 | — | — | |
| SCHEMBL10516774 | 0.94 | — | — | |
| SCHEMBL9682634 | 0.94 | — | — | |
| SCHEMBL26120899 | 0.94 | — | — |
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 |