⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21698783 | 0.67 | POLB (0.37) | — | |
| SCHEMBL18762256 | 0.64 | ADORA2A (0.32) | — | |
| SCHEMBL18762232 | 0.60 | ADORA2A (0.32) | — | |
| SCHEMBL22326702 | 0.58 | — | — | |
| SCHEMBL17380063 | 0.58 | ADORA2A (0.32) | — | |
| SCHEMBL17338953 | 0.57 | ADORA2A (0.32) | — | |
| SCHEMBL17338950 | 0.57 | ADORA2A (0.32) | — | |
| SCHEMBL17678380 | 0.57 | ADORA2A (0.31) | — | |
| SCHEMBL15723732 | 0.57 | PDE3B (0.33) | — | |
| SCHEMBL24328037 | 0.56 | CYP11B2 (0.50) | — |
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-20220315584-A1 | 1H-IMIDAZO[4,5-H]QUINAZOLINE COMPOUND AS PROTEIN KINASE INHIBITOR | SHENGKE PHARMACEUTICALS (JIANGSU) LTD. (CN) | 2022-10-06 | — | — | US | disclosed |