⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13756213 | 0.84 | CCR3 (0.33) | — | |
| SCHEMBL5765307 | 0.84 | CALCRL (0.35) | — | |
| SCHEMBL5770935 | 0.83 | — | — | |
| SCHEMBL4507059 | 0.83 | CCR3 (0.35) | — | |
| SCHEMBL4507070 | 0.83 | CCR3 (0.35) | — | |
| SCHEMBL4518156 | 0.78 | — | — | |
| SCHEMBL13756203 | 0.74 | AAK1 (0.34) | — | |
| SCHEMBL4507068 | 0.70 | — | — | |
| SCHEMBL13756208 | 0.68 | CALCRL (0.39) | — | |
| SCHEMBL13756230 | 0.68 | CALCRL (0.39) | — |
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-1689738-A2 | HETEROCYCLIC ANTI-MIGRAINE AGENTS | Bristol-Myers Squibb Company (US) | 2006-08-16 | — | — | EP | disclosed |
| WO-2005056550-A2 | HETEROCYCLIC ANTI-MIGRAINE AGENTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-06-23 | — | — | WO | disclosed |