⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1920414 | 1.00 | — | — | |
| SCHEMBL3206997 | 0.82 | — | — | |
| SCHEMBL4279010 | 0.67 | SLC18A3 (0.35) | — | |
| SCHEMBL3198076 | 0.62 | — | — | |
| SCHEMBL9236734 | 0.62 | — | — | |
| SCHEMBL9550980 | 0.62 | — | — | |
| SCHEMBL728782 | 0.62 | — | — | |
| SCHEMBL8340377 | 0.62 | — | — | |
| SCHEMBL731350 | 0.62 | — | — | |
| SCHEMBL3277616 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7683075-B2 | Isoquinoline-3-carboxylic acid amides and pharmaceutical uses thereof | NOVARTIS AG (CH) | 2010-03-23 | — | — | US | disclosed |
| US-20070142428-A1 | Isoquinoline-3-carboxylic acid amides and pharmaceutical uses thereof | NOVARTIS AG (CH) | 2007-06-21 | — | — | US | disclosed |
| EP-1633752-A1 | ISOQUINOLINE-3-CARBOXYLIC ACID AMIDES AND PHARMACEUTICAL USES THEREOF | Novartis AG (CH) | 2006-03-15 | — | — | EP | disclosed |
| WO-2004099206-A1 | ISOQUINOLINE-3-CARBOXYLIC ACID AMIDES AND PHARMACEUTICAL USES THEREOF | NOVARTIS AG (CH) | 2004-11-18 | — | — | WO | disclosed |