⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL567523 | 0.81 | HDAC6 (0.36) | — | |
| SCHEMBL567598 | 0.76 | CA14 (0.31) | — | |
| SCHEMBL567545 | 0.76 | CA14 (0.31) | — | |
| SCHEMBL21865637 | 0.65 | CA14 (0.38) | — | |
| SCHEMBL7566847 | 0.64 | HDAC6 (0.35) | — | |
| SCHEMBL27937343 | 0.63 | HDAC6 (0.34) | — | |
| SCHEMBL1456150 | 0.63 | AAK1 (0.34) | — | |
| SCHEMBL24852400 | 0.63 | CA14 (0.34) | — | |
| SCHEMBL567400 | 0.63 | CA14 (0.43) | — | |
| SCHEMBL567402 | 0.63 | CA14 (0.43) | — |
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 3 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 |
| 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 |