⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL874304 | 0.70 | — | — | |
| SCHEMBL7380304 | 0.70 | BRD4 (0.39) | — | |
| SCHEMBL25124370 | 0.70 | BRD4 (0.39) | — | |
| Hydrochloric Acid SCHEMBL11837161 | 0.69 | ALDH1A1 (0.37) | — | |
| SCHEMBL13074067 | 0.67 | KMT2A (0.32) | — | |
| SCHEMBL4603878 | 0.67 | INMT (0.38) | — | |
| SCHEMBL16918404 | 0.67 | INMT (0.40) | — | |
| SCHEMBL19561955 | 0.67 | INMT (0.40) | — | |
| SCHEMBL84340 | 0.67 | — | — | |
| SCHEMBL1278075 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1534681-A1 | SUBSTITUTED QUINOLINE CCR5 RECEPTOR ANTAGONISTS | SCHERING AKTIENGESELLSCHAFT (DE) | 2005-06-01 | — | — | EP | disclosed |
| WO-2004002960-A1 | SUBSTITUTED QUINOLINE CCR5 RECEPTOR ANTAGONISTS | SCHERING AKTIENGESELLSCHAFT (DE) | 2004-01-08 | — | — | WO | disclosed |