⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16877540 | 0.78 | — | — | |
| SCHEMBL4647989 | 0.71 | — | — | |
| SCHEMBL3482664 | 0.67 | — | — | |
| SCHEMBL1710234 | 0.60 | — | — | |
| SCHEMBL3482522 | 0.60 | MEN1 (0.36) | — | |
| SCHEMBL15978725 | 0.59 | — | — | |
| SCHEMBL3482398 | 0.59 | — | — | |
| SCHEMBL6792221 | 0.57 | — | — | |
| SCHEMBL5101511 | 0.57 | ESR2 (0.30) | — | |
| SCHEMBL12367807 | 0.57 | ALDH1A1 (0.32) | — |
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-2303845-B1 | Bi-and polycyclic substituted isoquinoline and isoquinoline derivatives as rho kinase inhibitors | SANOFI SA (FR) | 2013-09-18 | — | — | EP | 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 |