⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8408138 | 0.81 | — | — | |
| SCHEMBL3969350 | 0.69 | — | — | |
| SCHEMBL8831995 | 0.67 | — | — | |
| SCHEMBL56766 | 0.65 | — | — | |
| SCHEMBL961645 | 0.65 | — | — | |
| SCHEMBL2190608 | 0.62 | — | — | |
| SCHEMBL7568576 | 0.62 | — | — | |
| SCHEMBL1324853 | 0.61 | — | — | |
| SCHEMBL9058110 | 0.60 | — | — | |
| SCHEMBL9014118 | 0.59 | ALDH1A1 (0.37) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1854792-B1 | 1-(2H)-ISOQUINOLONE DERIVATIVE | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2012-12-26 | — | — | EP | disclosed |
| US-7820693-B2 | 1-(2H)-isoquinolone derivative | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2010-10-26 | — | — | US | disclosed |
| US-20090030195-A1 | 1-(2H)-ISOQUINOLONE DERIVATIVE | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2009-01-29 | — | — | US | disclosed |
| EP-1854792-A1 | 1-(2H)-ISOQUINOLONE DERIVATIVE | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2007-11-14 | — | — | EP | disclosed |