⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19617988 | 0.84 | — | — | |
| SCHEMBL20724941 | 0.75 | — | — | |
| SCHEMBL30726631 | 0.75 | — | — | |
| SCHEMBL19592409 | 0.74 | — | — | |
| SCHEMBL2288386 | 0.69 | — | — | |
| SCHEMBL20724937 | 0.67 | OPRM1 (0.31) | — | |
| SCHEMBL26395072 | 0.65 | — | — | |
| SCHEMBL23730413 | 0.65 | — | — | |
| SCHEMBL12828318 | 0.65 | — | — | |
| SCHEMBL4647756 | 0.64 | — | — |
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-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 |
| EP-3303348-B1 | NAPHTHYRIDINE COMPOUNDS AS JAK KINASE INHIBITORS | THERAVANCE BIOPHARMA R&D IP LLC (US) | 2019-08-07 | — | — | EP | disclosed |