⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4628818 | 0.77 | FFAR2 (0.44) | — | |
| SCHEMBL4628820 | 0.77 | FFAR2 (0.44) | — | |
| SCHEMBL19489069 | 0.76 | POLB (0.38) | — | |
| SCHEMBL21790451 | 0.73 | ATM (0.45) | — | |
| SCHEMBL8974849 | 0.71 | FDPS (0.50) | — | |
| SCHEMBL12055866 | 0.71 | FFAR2 (0.60) | — | |
| SCHEMBL84838 | 0.70 | — | — | |
| SCHEMBL18176099 | 0.70 | — | — | |
| SCHEMBL5092259 | 0.69 | ESR1 (0.46) | — | |
| Hydrochloric Acid SCHEMBL16465149 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3231798-B1 | THIAZOLE INTERMEDIATES USEFUL IN THE PREPARATION OF RAF KINASE INHIBITORS | SUNESIS PHARMACEUTICALS INC (US) | 2019-10-09 | — | — | EP | disclosed |
| EP-2167489-B1 | PYRIMIDINE DERIVATIVES USEFUL AS RAF KINASE INHIBITORS | SUNESIS PHARMACEUTICALS INC (US) | 2017-05-03 | — | — | EP | disclosed |