⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3888596 | 0.83 | ADORA2A (0.36) | — | |
| SCHEMBL13391264 | 0.76 | ADORA2A (0.40) | — | |
| SCHEMBL17522713 | 0.71 | ADORA2A (0.35) | — | |
| SCHEMBL15740158 | 0.68 | PNP (0.37) | — | |
| SCHEMBL5617353 | 0.64 | — | — | |
| SCHEMBL3895909 | 0.64 | PNP (0.61) | — | |
| SCHEMBL260110 | 0.63 | PNP (0.38) | — | |
| SCHEMBL3888177 | 0.63 | PNP (0.38) | — | |
| SCHEMBL264914 | 0.63 | PNP (0.38) | — | |
| SCHEMBL6228444 | 0.63 | TYK2 (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-20070099942-A1 | AZA nucleosides, preparation thereof and use as inhibitors of RNA viral polymerases | BIOCRYST PHARMACEUTICALS, INC. (US) | 2007-05-03 | — | — | US | disclosed |