⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3111737 | 0.79 | — | — | |
| SCHEMBL468011 | 0.73 | TSHR (0.50) | — | |
| SCHEMBL310740 | 0.73 | TSHR (0.50) | — | |
| SCHEMBL3790493 | 0.73 | — | — | |
| SCHEMBL7771374 | 0.73 | — | — | |
| SCHEMBL995683 | 0.73 | — | — | |
| SCHEMBL7769842 | 0.73 | — | — | |
| SCHEMBL41799 | 0.73 | — | — | |
| SCHEMBL310738 | 0.71 | — | — | |
| SCHEMBL5932097 | 0.71 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1724262-B1 | 1-(2H)-ISOQUINOLONE DERIVATIVE | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2012-05-02 | — | — | EP | claimed |
| US-8143274-B2 | 1-(2H)-isoquinolone derivative | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2012-03-27 | — | — | US | claimed |
| US-20070185160-A1 | 1-(2H)-isoquinolone derivative | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2007-08-09 | — | — | US | claimed |
| EP-1724262-A1 | 1-(2H)-ISOQUINOLONE DERIVATIVE | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2006-11-22 | — | — | EP | claimed |
| EP-1724262-B1 | 1-(2H)-ISOQUINOLONE DERIVATIVE | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2012-05-02 | — | — | EP | disclosed |
| US-8143274-B2 | 1-(2H)-isoquinolone derivative | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2012-03-27 | — | — | US | disclosed |
| US-20070185160-A1 | 1-(2H)-isoquinolone derivative | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2007-08-09 | — | — | US | disclosed |
| EP-1724262-A1 | 1-(2H)-ISOQUINOLONE DERIVATIVE | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2006-11-22 | — | — | EP | disclosed |