⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL829419 | 1.00 | — | — | |
| SCHEMBL828897 | 0.76 | OPRL1 (0.31) | — | |
| SCHEMBL828714 | 0.75 | CYP11B2 (0.35) | — | |
| SCHEMBL30831418 | 0.73 | P2RX7 (0.30) | — | |
| SCHEMBL828621 | 0.73 | P2RX7 (0.31) | — | |
| SCHEMBL31468736 | 0.72 | CXCR4 (0.36) | — | |
| SCHEMBL30322738 | 0.72 | CXCR4 (0.36) | — | |
| SCHEMBL829205 | 0.71 | P2RX7 (0.32) | — | |
| SCHEMBL21696801 | 0.71 | OPRL1 (0.32) | — | |
| SCHEMBL828431 | 0.70 | OPRL1 (0.34) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2488512-B1 | CGRP receptor antagonists | BRISTOL MYERS SQUIBB CO (US) | 2013-11-27 | — | — | EP | disclosed |
| US-20130053570-A1 | CGRP Receptor Antagonists | BRISTOL MYERS SQUIBB CO (US) | 2013-02-28 | — | — | US | disclosed |
| US-8314117-B2 | CGRP receptor antagonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-11-20 | — | — | US | disclosed |
| EP-2488512-A1 | CGRP RECEPTOR ANTAGONISTS | Bristol-Myers Squibb Company (US) | 2012-08-22 | — | — | EP | disclosed |
| US-20110251223-A1 | CGRP Receptor Antagonists | BRISTOL-MYERS SQUIBB COMPANY | 2011-10-13 | — | — | US | disclosed |
| WO-2011046997-A1 | CGRP RECEPTOR ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-04-21 | — | — | WO | disclosed |