⚠ 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 | |
|---|---|---|---|---|
| Uracil SCHEMBL151239 | 0.97 | — | — | |
| Uracil SCHEMBL27271010 | 0.94 | — | — | |
| Uracil SCHEMBL5182388 | 0.94 | — | — | |
| Uracil SCHEMBL15456754 | 0.87 | KDM4E (0.34) | — | |
| Uracil SCHEMBL6557359 | 0.85 | KDM4E (0.41) | — | |
| Uracil SCHEMBL27870856 | 0.85 | ALDH1A1 (0.30) | — | |
| Biphenyl SCHEMBL27705553 | 0.84 | AURKA (0.44) | — | |
| Uracil SCHEMBL28281876 | 0.84 | — | — | |
| Uracil SCHEMBL5125135 | 0.84 | ALDH1A1 (0.33) | — | |
| Uracil SCHEMBL28028641 | 0.84 | HSP90AA1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1315856-A | Therapeutic methods employing disulfide derivatives of dithiocarbamates and compositions useful therefor | MEDINOX INC (US) | 2001-10-03 | — | — | CN | disclosed |