⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4587393 | 0.66 | PADI1 (0.31) | — | |
| SCHEMBL2170647 | 0.64 | EPHX1 (0.37) | — | |
| Hydrochloric Acid SCHEMBL5058258 | 0.63 | EPHX1 (0.36) | — | |
| SCHEMBL6860747 | 0.61 | GABRA5 (0.40) | — | |
| SCHEMBL5785736 | 0.57 | EPHX1 (0.33) | — | |
| SCHEMBL13336339 | 0.55 | LMNA (0.35) | — | |
| SCHEMBL14146263 | 0.55 | LMNA (0.35) | — | |
| SCHEMBL8951051 | 0.55 | ATM (0.32) | — | |
| SCHEMBL1579323 | 0.55 | HDAC1 (0.45) | — | |
| SCHEMBL491619 | 0.54 | GLA (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1689493-A4 | CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS | BRISTOL MYERS SQUIBB CO (US) | 2008-04-23 | — | — | EP | disclosed |
| EP-1689493-A1 | CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS | Bristol-Myers Squibb Pharma Company (US) | 2006-08-16 | — | — | EP | disclosed |
| WO-2005065779-A1 | CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-07-21 | — | — | WO | disclosed |
| EP-1539766-A1 | CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS | Bristol-Myers Squibb Company (US) | 2005-06-15 | — | — | EP | disclosed |
| WO-2003104236-A1 | CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-12-18 | — | — | WO | disclosed |