⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2964690 | 0.81 | ALDH1A1 (0.44) | — | |
| SCHEMBL8735340 | 0.78 | — | — | |
| SCHEMBL4759769 | 0.75 | ALDH1A1 (0.41) | — | |
| SCHEMBL11530469 | 0.71 | ALDH1A1 (0.35) | — | |
| SCHEMBL8529908 | 0.69 | ALDH1A1 (0.48) | — | |
| SCHEMBL9390261 | 0.69 | HDAC6 (0.34) | — | |
| SCHEMBL575181 | 0.68 | ALDH1A1 (0.40) | — | |
| SCHEMBL986161 | 0.68 | HCAR2 (0.34) | — | |
| SCHEMBL7619570 | 0.68 | ALDH1A1 (0.33) | — | |
| SCHEMBL20211357 | 0.68 | NAAA (0.35) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060094743-A1 | Isoquinoline compounds and medicinal use thereof | MITSUBISHI PHARMA CORPORATION (JP) | 2006-05-04 | — | — | US | claimed |
| EP-1566380-A1 | ISOQUINOLINE COMPOUNDS AND MEDICINAL USE THEREOF | Mitsubishi Pharma Corporation (JP) | 2005-08-24 | — | — | EP | claimed |
| US-7501412-B2 | Isoquinoline compounds and medicinal use thereof | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2009-03-10 | — | — | US | disclosed |
| US-20060094743-A1 | Isoquinoline compounds and medicinal use thereof | MITSUBISHI PHARMA CORPORATION (JP) | 2006-05-04 | — | — | US | disclosed |
| EP-1566380-A1 | ISOQUINOLINE COMPOUNDS AND MEDICINAL USE THEREOF | Mitsubishi Pharma Corporation (JP) | 2005-08-24 | — | — | EP | disclosed |
| US-6248840-B1 | ETHYLENE POLYMER; BLOW MOLDING, CLARITY, HIGH STRENGTH | PHILLIPS PETROLEUM COMPANY | 2001-06-19 | — | — | US | disclosed |
| US-5962592-A | CROSSLINKING; USING A METALLOCENE CATALYST | PHILLIPS PETROLEUM COMPANY (US) | 1999-10-05 | — | — | US | disclosed |