⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2413590 | 0.64 | NPC1 (0.50) | — | |
| SCHEMBL31011779 | 0.64 | NPC1 (0.50) | — | |
| SCHEMBL9869877 | 0.63 | GOT1 (0.50) | — | |
| SCHEMBL6399598 | 0.61 | CTSD (0.48) | — | |
| SCHEMBL11709136 | 0.60 | ALDH1A1 (0.39) | — | |
| SCHEMBL7098220 | 0.60 | ALDH1A1 (0.50) | — | |
| SCHEMBL1897762 | 0.60 | GRM4 (0.38) | — | |
| SCHEMBL10343147 | 0.60 | NCF1 (0.55) | — | |
| SCHEMBL26133080 | 0.60 | — | — | |
| SCHEMBL9869630 | 0.59 | MAPT (0.36) | — |
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 7 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-1730137-A1 | HETEROCYCLIC CGRP ANTAGONISTS FOR THE TREATMENT OF MIGRAINE | Bristol-Myers Squibb Company (US) | 2006-12-13 | — | — | EP | disclosed |
| EP-1689493-A1 | CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS | Bristol-Myers Squibb Pharma Company (US) | 2006-08-16 | — | — | EP | disclosed |
| WO-2005095383-A1 | HETEROCYCLIC CGRP ANTAGONISTS FOR THE TREATMENT OF MIGRAINE | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-10-13 | — | — | WO | 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 |