⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4585289 | 0.79 | — | — | |
| SCHEMBL4593488 | 0.77 | — | — | |
| SCHEMBL4586225 | 0.76 | — | — | |
| SCHEMBL4585952 | 0.70 | — | — | |
| SCHEMBL4593642 | 0.69 | JAK2 (0.30) | — | |
| SCHEMBL4616261 | 0.69 | PARP2 (0.32) | — | |
| SCHEMBL6135661 | 0.68 | SLC6A2 (0.38) | — | |
| SCHEMBL4593121 | 0.67 | PLK4 (0.35) | — | |
| SCHEMBL4594181 | 0.66 | — | — | |
| SCHEMBL4593572 | 0.66 | HTR3A (0.30) | — |
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-1539766-A1 | CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS | Bristol-Myers Squibb Company (US) | 2005-06-15 | — | — | EP | claimed |
| WO-2003104236-A1 | CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-12-18 | — | — | WO | claimed |