⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5809034 | 0.84 | KLKB1 (0.30) | — | |
| SCHEMBL4513127 | 0.82 | — | — | |
| SCHEMBL4501272 | 0.81 | — | — | |
| SCHEMBL2973490 | 0.78 | KLKB1 (0.33) | — | |
| SCHEMBL2973484 | 0.78 | KLKB1 (0.33) | — | |
| SCHEMBL4518154 | 0.77 | — | — | |
| SCHEMBL13203919 | 0.76 | F11 (0.32) | — | |
| SCHEMBL2980926 | 0.76 | F11 (0.32) | — | |
| SCHEMBL2427195 | 0.76 | KLKB1 (0.32) | — | |
| SCHEMBL4507520 | 0.76 | KLKB1 (0.35) | — |
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 |