⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25488481 | 0.82 | SLC8A1 (0.34) | — | |
| SCHEMBL10204766 | 0.62 | L3MBTL1 (0.46) | — | |
| SCHEMBL25489463 | 0.62 | CYP2C19 (0.35) | — | |
| SCHEMBL7995338 | 0.60 | — | — | |
| SCHEMBL18641483 | 0.60 | — | — | |
| SCHEMBL129913 | 0.60 | — | — | |
| SCHEMBL18641382 | 0.60 | — | — | |
| SCHEMBL10862830 | 0.59 | MAOB (0.33) | — | |
| SCHEMBL21325047 | 0.58 | NPC1 (0.33) | — | |
| SCHEMBL24777619 | 0.56 | CDK2 (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-20230146675-A1 | PYRIMIDO[5,4-d]PYRIMIDINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS | iTeos Belgium SA (BE) | 2023-05-11 | — | — | US | disclosed |