⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12729064 | 0.78 | — | — | |
| SCHEMBL14959440 | 0.78 | — | — | |
| SCHEMBL22043633 | 0.77 | — | — | |
| SCHEMBL19904980 | 0.76 | — | — | |
| SCHEMBL21316024 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL21745751 | 0.73 | — | — | |
| SCHEMBL14838884 | 0.73 | — | — | |
| SCHEMBL20428643 | 0.73 | — | — | |
| SCHEMBL20428645 | 0.71 | — | — | |
| SCHEMBL21745746 | 0.71 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3239135-B1 | PYRIMIDONE COMPOUNDS USED AS LP-PLA2 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS THEREOF | SHANGHAI INST MATERIA MEDICA CAS (CN) | 2022-05-04 | — | — | EP | disclosed |
| EP-3793565-B1 | MCL-1 INHIBITORS | GILEAD SCIENCES INC (US) | 2022-01-05 | — | — | EP | disclosed |
| WO-2009143018-A2 | COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR | PLEXXIKON, INC. (US) | 2009-11-26 | — | — | WO | disclosed |