⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18316486 | 0.75 | — | — | |
| SCHEMBL10456852 | 0.70 | — | — | |
| SCHEMBL2533466 | 0.68 | — | — | |
| SCHEMBL19433847 | 0.67 | — | — | |
| SCHEMBL7855799 | 0.66 | MAPK1 (0.33) | — | |
| SCHEMBL6048216 | 0.65 | — | — | |
| SCHEMBL28026159 | 0.65 | — | — | |
| SCHEMBL9075032 | 0.63 | — | — | |
| SCHEMBL29130628 | 0.61 | — | — | |
| SCHEMBL30094372 | 0.61 | — | — |
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-1569646-A2 | PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2005-09-07 | — | — | EP | disclosed |
| WO-2004054974-A2 | PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2004-07-01 | — | — | WO | disclosed |