⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14149462 | 1.00 | — | — | |
| SCHEMBL4866479 | 0.71 | — | — | |
| SCHEMBL12858372 | 0.71 | — | — | |
| SCHEMBL4866484 | 0.71 | — | — | |
| SCHEMBL1816452 | 0.71 | — | — | |
| SCHEMBL319076 | 0.71 | — | — | |
| SCHEMBL14379175 | 0.69 | — | — | |
| SCHEMBL7046631 | 0.69 | — | — | |
| SCHEMBL3789960 | 0.69 | — | — | |
| SCHEMBL9812361 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1981886-B1 | 7H-PYRIDO[3,4-D]PYRIMIDIN-8-ONES, THEIR MANUFACTURE AND USE AS PROTEIN KINASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2009-08-12 | — | — | EP | disclosed |