⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24965 | 0.80 | — | — | |
| SCHEMBL27547755 | 0.76 | — | — | |
| Chloromethane SCHEMBL17457033 | 0.71 | — | — | |
| SCHEMBL10695356 | 0.71 | — | — | |
| SCHEMBL7036217 | 0.71 | — | — | |
| SCHEMBL28235338 | 0.71 | — | — | |
| SCHEMBL3292587 | 0.71 | — | — | |
| SCHEMBL11065537 | 0.71 | — | — | |
| Trichloroethane SCHEMBL27829168 | 0.69 | — | — | |
| SCHEMBL19951088 | 0.69 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105722835-B | 3- aryl -5- substitution-isoquinoline-1-ketone compound and their therapy application | 癌症研究协会:皇家癌症医院 | 2018-07-31 | — | — | CN | disclosed |
| CN-105722835-A | 3-aryl-5-substituted-isoquinolin-1-one compounds and their therapeutic use | 癌症研究协会:皇家癌症医院 | 2016-06-29 | — | — | CN | disclosed |