⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29515690 | 0.85 | PARP1 (0.34) | — | |
| SCHEMBL21827813 | 0.73 | MAP4K1 (0.35) | — | |
| SCHEMBL21353484 | 0.71 | NR3C2 (0.37) | — | |
| SCHEMBL22691553 | 0.69 | MAP4K1 (0.43) | — | |
| SCHEMBL31553232 | 0.69 | MAP4K1 (0.32) | — | |
| SCHEMBL29516134 | 0.68 | AKR1B1 (0.33) | — | |
| SCHEMBL30648675 | 0.65 | — | — | |
| SCHEMBL29422873 | 0.61 | MAP4K1 (0.41) | — | |
| SCHEMBL22695582 | 0.61 | MAP4K1 (0.41) | — | |
| SCHEMBL20517531 | 0.60 | MAP4K1 (0.44) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11612606-B2 | 8-aminoisoquinoline compounds and uses thereof | GENENTECH, INC. (US) | 2023-03-28 | — | — | US | disclosed |
| EP-3860980-A1 | 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF | F. Hoffmann-La Roche AG (CH) | 2021-08-11 | — | — | EP | disclosed |
| CN-113166062-A | 8-aminoisoquinoline compounds and uses thereof | 豪夫迈·罗氏有限公司 | 2021-07-23 | — | — | CN | disclosed |
| WO-2020072695-A1 | 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF | GENENTECH, INC. (US) | 2020-04-09 | — | — | WO | disclosed |
| WO-2020072695-A1 | 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF | GENENTECH, INC. (US) | 2020-04-09 | — | — | WO | disclosed |
| US-20200108075-A1 | 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF | GENENTECH, INC. (US) | 2020-04-09 | — | — | US | disclosed |
| US-20200108075-A1 | 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF | GENENTECH, INC. (US) | 2020-04-09 | — | — | US | disclosed |