⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7253779 | 0.88 | — | — | |
| SCHEMBL8154422 | 0.88 | — | — | |
| SCHEMBL7259083 | 0.86 | — | — | |
| SCHEMBL8152565 | 0.85 | — | — | |
| SCHEMBL6780106 | 0.85 | — | — | |
| SCHEMBL7258099 | 0.82 | — | — | |
| SCHEMBL8154174 | 0.82 | ALDH1A1 (0.43) | — | |
| SCHEMBL5906869 | 0.79 | ALDH1A1 (0.40) | — | |
| SCHEMBL7254850 | 0.78 | — | — | |
| SCHEMBL7257430 | 0.78 | NPC1 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20060122201-A1 | Uracil-thioether | BAYER HEALTHCARE AG (DE) | 2006-06-08 | — | — | US | disclosed |