⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4947416 | 0.75 | FDPS (0.39) | — | |
| SCHEMBL28777870 | 0.73 | — | — | |
| SCHEMBL8998513 | 0.73 | — | — | |
| SCHEMBL2811015 | 0.71 | — | — | |
| SCHEMBL337713 | 0.71 | — | — | |
| SCHEMBL27865639 | 0.71 | — | — | |
| SCHEMBL27870580 | 0.71 | — | — | |
| SCHEMBL12214446 | 0.71 | FDPS (0.50) | — | |
| SCHEMBL10322422 | 0.70 | — | — | |
| SCHEMBL7880214 | 0.70 | — | — |
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 |