⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20843896 | 0.80 | CYP1A2 (0.35) | — | |
| SCHEMBL24907460 | 0.77 | — | — | |
| SCHEMBL21720260 | 0.65 | CNR2 (0.31) | — | |
| SCHEMBL21737455 | 0.62 | — | — | |
| SCHEMBL24907384 | 0.60 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL23745310 | 0.59 | — | — | |
| SCHEMBL21720764 | 0.59 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL23130664 | 0.58 | ALDH1A1 (0.50) | — | |
| SCHEMBL24275822 | 0.58 | CYP1A2 (0.35) | — | |
| SCHEMBL23401263 | 0.58 | CYP1A2 (0.35) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |