⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7195434 | 0.68 | TK1 (0.38) | — | |
| SCHEMBL1725116 | 0.68 | APEX1 (0.32) | — | |
| SCHEMBL8985675 | 0.67 | CYP2C19 (0.31) | — | |
| SCHEMBL670226 | 0.64 | DNMT1 (0.33) | — | |
| SCHEMBL9337141 | 0.63 | KMT2A (0.44) | — | |
| SCHEMBL4405357 | 0.63 | HSD17B10 (0.38) | — | |
| SCHEMBL18106840 | 0.63 | — | — | |
| SCHEMBL7768447 | 0.60 | CYP3A4 (0.35) | — | |
| SCHEMBL10954945 | 0.57 | LMNA (0.37) | — | |
| SCHEMBL5523330 | 0.57 | LMNA (0.41) | — |
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-0153746-B1 | 3-AMINO-2-HYDROXYPROPYL DERIVATIVES OF PYRIMIDIN-4-ONE | MERCK & CO. INC. (US) | 1990-11-22 | — | — | EP | disclosed |