⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12846317 | 0.79 | TSHR (0.36) | — | |
| SCHEMBL598089 | 0.74 | — | — | |
| SCHEMBL12369611 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL6436598 | 0.69 | — | — | |
| SCHEMBL18052192 | 0.67 | — | — | |
| SCHEMBL9274401 | 0.67 | — | — | |
| SCHEMBL20180370 | 0.67 | — | — | |
| SCHEMBL337832 | 0.67 | — | — | |
| SCHEMBL4666901 | 0.67 | — | — | |
| SCHEMBL17790758 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8153787-B2 | Azacytosine derivatives useful as antiviral agents | K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) | 2012-04-10 | — | — | US | disclosed |
| US-20090005346-A1 | Azacytosine Derivatives Useful as Antiviral Agents | K.U.LEUVEN RESEARCH & DEVELOPMENT (BE) | 2009-01-01 | — | — | US | disclosed |