⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1693 | 0.96 | — | — | |
| Ammonia Solution, Strong SCHEMBL28526917 | 0.93 | — | — | |
| SCHEMBL2276699 | 0.93 | — | — | |
| Hydrogen Sulfide SCHEMBL27808480 | 0.93 | — | — | |
| Fluoride SCHEMBL9331070 | 0.90 | — | — | |
| Methylene Chloride SCHEMBL27681116 | 0.87 | — | — | |
| SCHEMBL23070842 | 0.84 | — | — | |
| SCHEMBL19864943 | 0.78 | CA1 (0.46) | — | |
| Tetrahydrofuran SCHEMBL28696181 | 0.76 | ALDH1A1 (0.38) | — | |
| SCHEMBL6349091 | 0.74 | — | — |
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-0719271-B1 | 5-(1-FLUORO-VINYL)-1H-PYRIMIDINE-2,4-DIONE DERIVATIVES USEFUL AS ANTINEOPLASTIC AGENTS | MERRELL PHARMA INC (US) | 1997-11-26 | — | — | EP | disclosed |