⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4279951 | 0.75 | — | — | |
| SCHEMBL1558445 | 0.75 | NPSR1 (0.40) | — | |
| SCHEMBL4285723 | 0.73 | NPSR1 (0.38) | — | |
| SCHEMBL18128291 | 0.65 | GPR3 (0.30) | — | |
| SCHEMBL21680079 | 0.65 | GPR3 (0.30) | — | |
| SCHEMBL31388846 | 0.65 | GPR3 (0.30) | — | |
| SCHEMBL18128290 | 0.65 | GPR3 (0.30) | — | |
| SCHEMBL1557947 | 0.63 | HSD11B1 (0.32) | — | |
| SCHEMBL21680077 | 0.62 | — | — | |
| SCHEMBL21680078 | 0.62 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8524737-B2 | Bi- and polycyclic substituted isoquinoline and isoquinolinone derivatives | SANOFI (FR) | 2013-09-03 | — | — | US | disclosed |
| US-8524737-B2 | Bi- and polycyclic substituted isoquinoline and isoquinolinone derivatives | SANOFI (FR) | 2013-09-03 | — | — | US | disclosed |
| US-20110190340-A1 | BI- AND POLYCYCLIC SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES | SANOFI-AVENTIS (FR) | 2011-08-04 | — | — | US | disclosed |
| US-20110190340-A1 | BI- AND POLYCYCLIC SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES | SANOFI-AVENTIS (FR) | 2011-08-04 | — | — | US | disclosed |
| EP-2303845-A2 | BI-AND POLYCYCLIC SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINE DERIVATIVES AS RHO KINASE INHIBITORS | Sanofi-Aventis (FR) | 2011-04-06 | — | — | EP | disclosed |