⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19225955 | 0.82 | — | — | |
| SCHEMBL1219806 | 0.82 | — | — | |
| SCHEMBL30839689 | 0.73 | — | — | |
| SCHEMBL18259091 | 0.69 | BRD4 (0.32) | — | |
| SCHEMBL18457364 | 0.68 | — | — | |
| SCHEMBL1600759 | 0.68 | CRBN (0.30) | — | |
| SCHEMBL9173461 | 0.67 | — | — | |
| SCHEMBL17993974 | 0.67 | — | — | |
| SCHEMBL13350049 | 0.66 | MEN1 (0.37) | — | |
| SCHEMBL183267 | 0.66 | TTK (0.41) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1640367-B1 | ISOQUINOLINE -1,3,4-TRIONE, THE SYNTHETIC METHOD AND THE USE THEREOF | SHANGHAI INST MATERIA MEDICA (CN) | 2011-02-09 | — | — | EP | disclosed |
| US-7683073-B2 | Isoquinoline-1,3,4-trione compounds, the synthetic method and the use thereof | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2010-03-23 | — | — | US | disclosed |
| EP-1640367-A4 | ISOQUINOLINE -1,3,4-TRIONE, THE SYNTHETIC METHOD AND THE USE THEREOF | SHANGHAI INST MATERIA MEDICA (CN) | 2008-12-10 | — | — | EP | disclosed |
| US-20060135557-A1 | Isoquinoline-1,3,4-trione compounds, the synthetic method and the use thereof | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES | 2006-06-22 | — | — | US | disclosed |
| WO-2004111010-A1 | ISOQUINOLINE -1,3,4-TRIONE, THE SYNTHETIC METHOD AND THE USE THEREOF | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2004-12-23 | — | — | WO | disclosed |