⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14837432 | 0.75 | PARP1 (0.34) | — | |
| SCHEMBL917974 | 0.70 | CYP2A6 (0.39) | — | |
| SCHEMBL917573 | 0.69 | KDM4E (0.38) | — | |
| SCHEMBL918028 | 0.66 | PARP1 (0.55) | — | |
| SCHEMBL14837200 | 0.64 | PARP1 (0.43) | — | |
| SCHEMBL14837279 | 0.62 | L3MBTL1 (0.50) | — | |
| SCHEMBL27817299 | 0.61 | PARP1 (0.45) | — | |
| SCHEMBL918327 | 0.61 | CDC7 (0.36) | — | |
| SCHEMBL14837106 | 0.61 | KMT2A (0.43) | — | |
| SCHEMBL917909 | 0.61 | PARP1 (0.39) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1968929-B | Substituted tetrahydro-2h-isoquinolin-1-one derivatives, method for the production thereof, and use of the same as medicaments | SANOFI AVENTIS DEUTSCHLAND | 2010-09-08 | — | — | CN | disclosed |