⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7157134 | 0.75 | — | — | |
| SCHEMBL6781767 | 0.73 | — | — | |
| SCHEMBL7372455 | 0.73 | — | — | |
| SCHEMBL20594213 | 0.71 | — | — | |
| SCHEMBL11109235 | 0.67 | — | — | |
| SCHEMBL386205 | 0.62 | — | — | |
| SCHEMBL2914866 | 0.62 | — | — | |
| N,N-Dimethylethanaminium SCHEMBL2146567 | 0.62 | TSHR (0.36) | — | |
| N,N-Dimethylethanaminium SCHEMBL16338 | 0.62 | — | — | |
| N,N-Dimethylethanaminium SCHEMBL352062 | 0.62 | — | — |
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-1869032-B1 | PYRIMIDINE DERIVATIVES FOR USE AS ANTICANCER AGENTS | ASTRAZENECA AB (SE) | 2008-08-13 | — | — | EP | disclosed |