⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1200 | 0.94 | — | — | |
| SCHEMBL5427065 | 0.94 | — | — | |
| Hydrogen Sulfide SCHEMBL28225331 | 0.92 | — | — | |
| SCHEMBL28106297 | 0.92 | — | — | |
| SCHEMBL4896738 | 0.90 | MEN1 (0.52) | — | |
| SCHEMBL10526453 | 0.82 | MEN1 (0.57) | — | |
| SCHEMBL77562 | 0.78 | — | — | |
| SCHEMBL3280030 | 0.76 | — | — | |
| SCHEMBL27697269 | 0.76 | — | — | |
| SCHEMBL3277523 | 0.74 | — | — |
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-2444395-B1 | SUBSTITUTED ISOQUINOLINE DERIVATIVE | WESTERN THERAPEUTICS INST INC D (JP) | 2016-01-06 | — | — | EP | disclosed |
| US-8951997-B2 | Substituted isoquinoline derivative | D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) | 2015-02-10 | — | — | US | disclosed |
| EP-2444395-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVE | D. Western Therapeutics Institute, Inc. (JP) | 2012-04-25 | — | — | EP | disclosed |
| US-20120035159-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVE | D. WESTERN THERAPEUTICS INSTITUTE, INC (JP) | 2012-02-09 | — | — | US | disclosed |