⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19267113 | 0.80 | — | — | |
| SCHEMBL30484 | 0.80 | — | — | |
| SCHEMBL13090159 | 0.80 | — | — | |
| SCHEMBL12439525 | 0.78 | — | — | |
| SCHEMBL19631376 | 0.78 | — | — | |
| SCHEMBL7920458 | 0.78 | — | — | |
| SCHEMBL19172864 | 0.78 | — | — | |
| SCHEMBL6691839 | 0.78 | — | — | |
| SCHEMBL21369194 | 0.78 | — | — | |
| SCHEMBL15038194 | 0.78 | — | — |
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-0501693-B1 | Isoquinoline derivatives | BANYU PHARMA CO LTD (JP) | 1996-08-28 | — | — | EP | disclosed |
| US-5362736-A | Alkoxy derivatives for cardiovascular disorders | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1994-11-08 | — | — | US | disclosed |
| EP-0501693-A1 | Isoquinoline derivatives | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1992-09-02 | — | — | EP | disclosed |
| US-4440781-A | TRANQUILIZERS; ANTICONVULSANTS; ANTIDEPRESSANTS; ALCOHOL AND TOBACCO WITHDRAWAL | THE VINOXEN COMPANY, INC. (US) | 1984-04-03 | — | — | US | disclosed |
| US-4424202-A | Azelaaldehydates as psychotropic agents | THE VINOXEN COMPANY, INC. (US) | 1984-01-03 | — | — | US | disclosed |