⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4843148 | 0.67 | — | — | |
| SCHEMBL6050781 | 0.67 | — | — | |
| SCHEMBL9698504 | 0.67 | GOT1 (0.31) | — | |
| SCHEMBL69569 | 0.67 | — | — | |
| SCHEMBL28271180 | 0.66 | ENPP3 (0.31) | — | |
| SCHEMBL2340955 | 0.65 | — | — | |
| SCHEMBL8776850 | 0.65 | — | — | |
| SCHEMBL6191849 | 0.64 | — | — | |
| SCHEMBL1348552 | 0.64 | KDM4E (0.50) | — | |
| SCHEMBL27651061 | 0.61 | POLB (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1931670-A1 | PYRIDOPYRIMIDINONE INHIBITORS OF PI3K | Exelixis, Inc. (US) | 2008-06-18 | — | — | EP | disclosed |
| WO-2007044698-A1 | PYRIDOPYRIMIDINONE INHIBITORS OF PI3Kα | EXELIXIS, INC. (US) | 2007-04-19 | — | — | WO | disclosed |