⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1992650 | 0.58 | — | — | |
| SCHEMBL24459 | 0.35 | — | — | |
| SCHEMBL1498050 | 0.35 | — | — | |
| SCHEMBL854551 | 0.35 | — | — | |
| SCHEMBL8979243 | 0.35 | — | — | |
| SCHEMBL4584754 | 0.35 | — | — | |
| SCHEMBL13523738 | 0.35 | — | — | |
| SCHEMBL916841 | 0.31 | — | — | |
| SCHEMBL290466 | 0.31 | — | — | |
| SCHEMBL21249185 | 0.31 | — | — |
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-1758864-B1 | Substituted tetrahydro-2H-isoquinolin-1-one derivatives, method for their preparation, and their use as medicaments | SANOFI AVENTIS DEUTSCHLAND (DE) | 2013-04-10 | — | — | EP | claimed |
| US-7795278-B2 | Substituted tetrahydro-2H-isoquinolin-1-one derivatives, and methods for the production and use thereof | SANOFI-AVENTIS DEUTSCHLAND GMBH (US) | 2010-09-14 | — | — | US | claimed |
| US-20070142430-A1 | SUBSTITUTED TETRAHYDRO-2H-ISOQUINOLIN-1-ONE DERIVATIVES, AND METHODS FOR THE PRODUCTION AND USE THEREOF | SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) | 2007-06-21 | — | — | US | claimed |