⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15618835 | 0.76 | — | — | |
| SCHEMBL29721900 | 0.75 | — | — | |
| SCHEMBL23147880 | 0.75 | — | — | |
| SCHEMBL24334808 | 0.74 | CCNA2 (0.31) | — | |
| SCHEMBL23148094 | 0.72 | — | — | |
| SCHEMBL29722426 | 0.72 | — | — | |
| SCHEMBL1883096 | 0.71 | PARP1 (0.44) | — | |
| SCHEMBL855838 | 0.71 | HPGD (0.36) | — | |
| SCHEMBL3754475 | 0.71 | DDB1 (0.39) | — | |
| SCHEMBL30545112 | 0.71 | DDB1 (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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2013214-B1 | CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS | BRISTOL MYERS SQUIBB CO (US) | 2015-06-24 | — | — | EP | disclosed |
| CN-101495480-B | Constrained compounds as cgrp-receptor antagonists | BRISTOL MYERS SQUIBB CO | 2013-07-10 | — | — | CN | disclosed |
| CN-101495480-A | Constrained compounds as cgrp-receptor antagonists | BRISTOL MYERS SQUIBB CO (US) | 2009-07-29 | — | — | CN | disclosed |
| EP-2013214-A2 | CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS | Bristol-Myers Squibb Company (US) | 2009-01-14 | — | — | EP | disclosed |
| US-7470680-B2 | Constrained compounds as CGRP-receptor antagonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-12-30 | — | — | US | disclosed |
| US-7470680-B2 | Constrained compounds as CGRP-receptor antagonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-12-30 | — | — | US | disclosed |
| WO-2007131020-A2 | CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-11-15 | — | — | WO | disclosed |
| US-20070259851-A1 | CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY | 2007-11-08 | — | — | US | disclosed |
| US-20070259851-A1 | CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY | 2007-11-08 | — | — | US | disclosed |