⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2211375 | 0.87 | GPR119 (0.40) | — | |
| SCHEMBL2211378 | 0.83 | — | — | |
| SCHEMBL5592013 | 0.82 | NR3C2 (0.34) | — | |
| SCHEMBL4053813 | 0.78 | MAPT (0.37) | — | |
| SCHEMBL13987066 | 0.76 | EED (0.39) | — | |
| SCHEMBL5591928 | 0.76 | CHRM3 (0.35) | — | |
| SCHEMBL2214131 | 0.74 | ALDH1A1 (0.42) | — | |
| SCHEMBL2211720 | 0.72 | GPR119 (0.43) | — | |
| SCHEMBL2980219 | 0.70 | ALDH1A1 (0.36) | — | |
| SCHEMBL2213566 | 0.70 | GPR119 (0.45) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2013213-A2 | CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS | Brystol-Myers Squibb Company (US) | 2009-01-14 | — | — | EP | disclosed |
| WO-2007130860-A2 | CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-11-15 | — | — | WO | disclosed |
| WO-2007130927-A2 | CONDENSED TRICYCLIC COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-11-15 | — | — | WO | disclosed |