⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL577560 | 0.72 | — | — | |
| SCHEMBL868397 | 0.72 | MAPT (0.35) | — | |
| SCHEMBL28342953 | 0.70 | — | — | |
| SCHEMBL18878410 | 0.67 | ALOX5 (0.33) | — | |
| SCHEMBL18562866 | 0.67 | ENPP2 (0.40) | — | |
| SCHEMBL3786383 | 0.67 | LIPG (0.37) | — | |
| SCHEMBL20561503 | 0.65 | MGLL (0.35) | — | |
| SCHEMBL334122 | 0.65 | KDM4E (0.35) | — | |
| SCHEMBL3783766 | 0.65 | PRNP (0.39) | — | |
| SCHEMBL1372166 | 0.65 | AXL (0.47) | — |
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-1814883-A1 | BICYCLIC INHIBITORS OR RHO KINASE | Vertex Pharmaceuticals Incorporated (US) | 2007-08-08 | — | — | EP | disclosed |
| US-20060122185-A1 | Bicyclic inhibitors of Rho kinase | VERTEX PHARMACEUTICALS INCORPORATED | 2006-06-08 | — | — | US | disclosed |
| WO-2006058120-A1 | BICYCLIC INHIBITORS OR RHO KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2006-06-01 | — | — | WO | disclosed |