⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16112918 | 0.81 | — | — | |
| SCHEMBL12462586 | 0.78 | — | — | |
| SCHEMBL3659642 | 0.78 | — | — | |
| SCHEMBL4877944 | 0.73 | — | — | |
| SCHEMBL14128892 | 0.71 | USP2 (0.31) | — | |
| SCHEMBL31315835 | 0.71 | USP2 (0.31) | — | |
| SCHEMBL18352762 | 0.67 | — | — | |
| SCHEMBL16461789 | 0.67 | — | — | |
| SCHEMBL12528241 | 0.66 | — | — | |
| SCHEMBL2526683 | 0.65 | EPHX1 (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3694331-A1 | INDAZOLYL-SPIRO[2.3]HEXANE-CARBONITRILE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF | Merck Sharp & Dohme Corp. (US) | 2020-08-19 | — | — | EP | disclosed |
| WO-2019074810-A1 | INDAZOLYL-SPIRO[2.3]HEXANE-CARBONITRILE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF | MERCK SHARP & DOHME CORP. (US) | 2019-04-18 | — | — | WO | disclosed |