⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20898702 | 0.88 | — | — | |
| SCHEMBL16754188 | 0.88 | — | — | |
| SCHEMBL29634653 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL23358211 | 0.75 | — | — | |
| SCHEMBL23493173 | 0.74 | OPRM1 (0.33) | — | |
| SCHEMBL23119982 | 0.74 | JAK2 (0.31) | — | |
| SCHEMBL23119981 | 0.69 | — | — | |
| SCHEMBL24819506 | 0.69 | — | — | |
| SCHEMBL25320023 | 0.69 | — | — | |
| SCHEMBL3388937 | 0.69 | KDM4E (0.31) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3694331-B1 | INDAZOLYL-SPIRO[2.3]HEXANE-CARBONITRILE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF | MERCK SHARP & DOHME LLC (US) | 2022-11-16 | — | — | EP | disclosed |
| US-11174248-B2 | Indazolyl-spiro[2.3]hexane-carbonitrile derivatives as LRRK2 inhibitors, pharmaceutical compositions, and uses thereof | MERCK SHARP & DOHME CORP. (US) | 2021-11-16 | — | — | US | disclosed |
| US-20210188818-A1 | INDAZOLYL-SPIRO[2.3]HEXANE-CARBONITRILE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF | MERCK SHARP & DOHME CORP. (US) | 2021-06-24 | — | — | US | disclosed |
| 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 |