⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1496206 | 0.83 | ALDH1A1 (0.34) | — | |
| SCHEMBL215249 | 0.83 | ALDH1A1 (0.34) | — | |
| SCHEMBL4644254 | 0.73 | — | — | |
| SCHEMBL5188257 | 0.64 | — | — | |
| SCHEMBL14721640 | 0.64 | — | — | |
| SCHEMBL7631013 | 0.61 | — | — | |
| SCHEMBL15003323 | 0.60 | — | — | |
| SCHEMBL910798 | 0.60 | — | — | |
| SCHEMBL18828483 | 0.60 | — | — | |
| SCHEMBL24586087 | 0.60 | ALDH1A1 (0.37) | — |
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-RE42015-E1 | N4-acylcytosine-1,3-dioxolane nucleosides for treatment of viral infections | PHARMASSET, INC. (US) | 2010-12-28 | — | — | US | disclosed |