⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15568164 | 0.83 | ALOX5 (0.31) | — | |
| SCHEMBL1864809 | 0.79 | — | — | |
| SCHEMBL15568763 | 0.77 | CYP3A4 (0.37) | — | |
| SCHEMBL994460 | 0.77 | EPHX1 (0.38) | — | |
| SCHEMBL27181788 | 0.77 | CYP3A4 (0.33) | — | |
| SCHEMBL30152586 | 0.75 | CYP3A4 (0.39) | — | |
| SCHEMBL3706334 | 0.74 | CYP3A4 (0.34) | — | |
| SCHEMBL4496703 | 0.74 | — | — | |
| SCHEMBL28443625 | 0.73 | CYP3A4 (0.40) | — | |
| SCHEMBL28443626 | 0.73 | CYP3A4 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20240132492-A1 | PYRIDOPYRIMIDINE-BASED COMPOUND AND APPLICATION THEREOF | JINAN UNIVERSITY (CN) | 2024-04-25 | — | — | US | disclosed |
| CN-115348963-B | Pyridopyrimidine compound and application thereof | 暨南大学 | 2024-04-19 | — | — | CN | disclosed |
| EP-4310084-A1 | PYRIDOPYRIMIDINE-BASED COMPOUND AND APPLICATION THEREOF | Jinan University (CN) | 2024-01-24 | — | — | EP | disclosed |
| CN-115348963-A | Pyridopyrimidine compound and application thereof | 暨南大学 | 2022-11-15 | — | — | CN | disclosed |
| WO-2022188755-A1 | PYRIDOPYRIMIDINE-BASED COMPOUND AND APPLICATION THEREOF | 暨南大学 | 2022-09-15 | — | — | WO | disclosed |