⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15180436 | 0.85 | — | — | |
| SCHEMBL13626763 | 0.78 | — | — | |
| SCHEMBL6405824 | 0.65 | CYP2A6 (0.32) | — | |
| SCHEMBL135026 | 0.65 | — | — | |
| SCHEMBL2643285 | 0.65 | — | — | |
| SCHEMBL18266944 | 0.63 | CCR1 (0.32) | — | |
| SCHEMBL24659202 | 0.62 | PSMD14 (0.44) | — | |
| SCHEMBL26566174 | 0.61 | PSMD14 (0.42) | — | |
| SCHEMBL8417719 | 0.61 | CYP2A6 (0.31) | — | |
| SCHEMBL1553320 | 0.61 | — | — |
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-3290420-B1 | PYRIMIDINE PYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USES THEREOF | UNIV XIAMEN (CN) | 2020-12-09 | — | — | EP | disclosed |