⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16754188 | 1.00 | — | — | |
| SCHEMBL20898513 | 0.88 | — | — | |
| SCHEMBL29634653 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL23358211 | 0.80 | — | — | |
| SCHEMBL23493173 | 0.78 | OPRM1 (0.33) | — | |
| SCHEMBL23119982 | 0.78 | JAK2 (0.31) | — | |
| SCHEMBL23119981 | 0.73 | — | — | |
| SCHEMBL24819506 | 0.73 | — | — | |
| SCHEMBL23068793 | 0.72 | CHRNA7 (0.36) | — | |
| Hydrochloric Acid SCHEMBL30037141 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4408427-A1 | SYSTEM AND METHOD FOR STATIC AND DYNAMIC MRI SHIMMING | Merck Sharp & Dohme LLC (US) | 2024-08-07 | — | — | EP | 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 |
| EP-3694330-A1 | INDAZOLYL-SPIRO[2.2]PENTANE-CARBONITRILE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF | Merck Sharp & Dohme Corp. (US) | 2020-08-19 | — | — | EP | disclosed |
| WO-2019074809-A1 | INDAZOLYL-SPIRO[2.2]PENTANE-CARBONITRILE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF | MERCK SHARP & DOHME CORP. (US) | 2019-04-18 | — | — | WO | disclosed |