⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10522686 | 0.69 | — | — | |
| SCHEMBL4905870 | 0.67 | CTSA (0.43) | — | |
| SCHEMBL36478 | 0.67 | — | — | |
| SCHEMBL8998510 | 0.67 | — | — | |
| SCHEMBL1243986 | 0.67 | — | — | |
| SCHEMBL780071 | 0.67 | — | — | |
| SCHEMBL9892702 | 0.64 | — | — | |
| SCHEMBL11882634 | 0.62 | — | — | |
| SCHEMBL282682 | 0.61 | TSHR (0.48) | — | |
| SCHEMBL20528895 | 0.61 | FDPS (0.33) | — |
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-0330057-A2 | Substituted pyrimidines | BAYER AG (DE) | 1989-08-30 | — | — | EP | claimed |