⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28486706 | 0.84 | — | — | |
| SCHEMBL16038541 | 0.84 | — | — | |
| SCHEMBL4641284 | 0.84 | — | — | |
| SCHEMBL3464604 | 0.84 | — | — | |
| SCHEMBL22235240 | 0.80 | KDM4E (0.39) | — | |
| SCHEMBL32677633 | 0.80 | KDM4E (0.39) | — | |
| SCHEMBL22234852 | 0.78 | — | — | |
| SCHEMBL22235777 | 0.74 | GSTO1 (0.31) | — | |
| SCHEMBL9963064 | 0.71 | — | — | |
| SCHEMBL3983946 | 0.71 | EPHX1 (0.42) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116390727-A | N-linked isoquinolinamides as LRRK2 inhibitors, pharmaceutical compositions and uses thereof | 默沙东有限责任公司 | 2023-07-04 | — | — | CN | claimed |
| US-20260115199-A1 | TRICYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER | HOFFMANN-LA ROCHE INC. (US) | 2026-04-30 | — | — | US | disclosed |
| US-12516039-B2 | N-linked isoquinoline amides as LRRK2 inhibitors, pharmaceutical compositions, and uses thereof | MERCK SHARP & DOHME LLC (US) | 2026-01-06 | — | — | US | disclosed |
| US-20240398784-A1 | C-LINKED ISOQUINOLINE AMIDES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF | MERCK SHARP & DOHME LLC (US) | 2024-12-05 | — | — | US | disclosed |
| EP-4408427-A1 | SYSTEM AND METHOD FOR STATIC AND DYNAMIC MRI SHIMMING | Merck Sharp & Dohme LLC (US) | 2024-08-07 | — | — | EP | disclosed |
| US-20230406844-A1 | N-LINKED ISOQUINOLINE AMIDES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF | MERCK SHARP & DOHME LLC (US) | 2023-12-21 | — | — | US | disclosed |
| WO-2023055679-A1 | C-LINKED ISOQUINOLINE AMIDES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF | MERCK SHARP & DOHME LLC (US) | 2023-04-06 | — | — | WO | disclosed |
| CN-115521325-A | Boronic acid derivatives | 首药控股(北京)股份有限公司 | 2022-12-27 | — | — | CN | disclosed |