⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13494687 | 0.76 | L3MBTL1 (0.33) | — | |
| SCHEMBL18156042 | 0.75 | ACHE (0.38) | — | |
| SCHEMBL1783370 | 0.75 | P2RY6 (0.38) | — | |
| SCHEMBL24908210 | 0.75 | LRRK2 (0.33) | — | |
| SCHEMBL15580562 | 0.72 | L3MBTL1 (0.57) | — | |
| SCHEMBL17459858 | 0.71 | — | — | |
| SCHEMBL3683850 | 0.71 | — | — | |
| SCHEMBL28183880 | 0.70 | SCD (0.33) | — | |
| SCHEMBL293672 | 0.69 | — | — | |
| SCHEMBL3686568 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230303540-A1 | 2-AMINOQUINAZOLINES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF | MERCK SHARP & DOHME LLC (US) | 2023-09-28 | — | — | US | disclosed |
| US-20230023066-A1 | N-(HETEROARYL) QUINAZOLIN-2-AMINE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF | MERCK SHARP & DOHME CORP. (US) | 2023-01-26 | — | — | US | disclosed |