⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2424257 | 0.81 | — | — | |
| SCHEMBL25397649 | 0.77 | — | — | |
| SCHEMBL1044868 | 0.75 | GAA (0.37) | — | |
| SCHEMBL4204738 | 0.75 | CYP2D6 (0.35) | — | |
| SCHEMBL29230986 | 0.72 | KCNH2 (0.33) | — | |
| SCHEMBL4317261 | 0.71 | LOXL2 (0.38) | — | |
| SCHEMBL26927347 | 0.70 | TLR8 (0.30) | — | |
| SCHEMBL31500479 | 0.70 | TLR8 (0.30) | — | |
| SCHEMBL996750 | 0.69 | LOXL2 (0.31) | — | |
| SCHEMBL994930 | 0.68 | LOXL2 (0.42) | — |
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-2366699-B1 | 8-SUBSTITUTED ISOQUINOLINE DERIVATIVE AND USE THEREOF | ASAHI KASEI PHARMA CORP (JP) | 2013-08-07 | — | — | EP | disclosed |
| US-8299055-B2 | 8-substituted isoquinoline derivative and the use thereof | ASAHI KASEI PHARMA CORPORATION (JP) | 2012-10-30 | — | — | US | disclosed |
| EP-2366699-A1 | 8-SUBSTITUTED ISOQUINOLINE DERIVATIVE AND USE THEREOF | Asahi Kasei Pharma Corporation (JP) | 2011-09-21 | — | — | EP | disclosed |
| US-20100261701-A1 | 8-Substituted isoquinoline derivative and the use thereof | ASAHI KASEI PHARMA CORPORATION (JP) | 2010-10-14 | — | — | US | disclosed |