⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3224211 | 0.91 | PPM1D (0.31) | — | |
| SCHEMBL2798711 | 0.79 | PPM1D (0.30) | — | |
| SCHEMBL2831079 | 0.79 | PPM1D (0.35) | — | |
| SCHEMBL16622537 | 0.77 | PPM1D (0.33) | — | |
| SCHEMBL8045134 | 0.75 | PPM1D (0.32) | — | |
| SCHEMBL1951360 | 0.73 | PPM1D (0.33) | — | |
| SCHEMBL28833146 | 0.72 | — | — | |
| SCHEMBL28833147 | 0.72 | — | — | |
| SCHEMBL830999 | 0.72 | ALDH1A1 (0.35) | — | |
| SCHEMBL3225010 | 0.72 | PPM1D (0.30) | — |
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-8710077-B2 | Cycloalkylamine substituted isoquinoline and isoquinolinone derivatives | SANOFI (FR) | 2014-04-29 | — | — | US | disclosed |
| EP-2102164-B1 | CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES | SANOFI AVENTIS (FR) | 2010-12-01 | — | — | EP | disclosed |
| US-20100056553-A1 | Cycloalkylamine substituted isoquinoline and isoquinolinone derivatives | SANOFI-AVENTIS (FR) | 2010-03-04 | — | — | US | disclosed |
| EP-2102164-A1 | CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES | Sanofi-Aventis (FR) | 2009-09-23 | — | — | EP | disclosed |
| WO-2008077556-A1 | CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES | SANOFI-AVENTIS (FR) | 2008-07-03 | — | — | WO | disclosed |