⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3498478 | 1.00 | — | — | |
| SCHEMBL5650798 | 0.79 | MGAM (0.41) | — | |
| SCHEMBL6007507 | 0.79 | CA12 (0.40) | — | |
| SCHEMBL2086431 | 0.77 | — | — | |
| SCHEMBL9034130 | 0.77 | SMN1; SMN2 (0.40) | — | |
| SCHEMBL8610882 | 0.76 | CA14 (0.52) | — | |
| SCHEMBL3201070 | 0.76 | CA14 (0.52) | — | |
| SCHEMBL3485837 | 0.75 | CA14 (0.41) | — | |
| SCHEMBL3669533 | 0.74 | — | — | |
| SCHEMBL10421860 | 0.73 | CA14 (0.56) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7220856-B2 | Substituted quinoline CCR5 receptor antagonists | SCHERING AKTIENGESELLSCHAFT (DE) | 2007-05-22 | — | — | US | disclosed |
| EP-1534681-A1 | SUBSTITUTED QUINOLINE CCR5 RECEPTOR ANTAGONISTS | SCHERING AKTIENGESELLSCHAFT (DE) | 2005-06-01 | — | — | EP | disclosed |
| US-20040072818-A1 | Substituted quinoline CCR5 receptor antagonists | SCHERING AKTIENGESELLSCHAFT (DE) | 2004-04-15 | — | — | US | disclosed |
| WO-2004002960-A1 | SUBSTITUTED QUINOLINE CCR5 RECEPTOR ANTAGONISTS | SCHERING AKTIENGESELLSCHAFT (DE) | 2004-01-08 | — | — | WO | disclosed |