⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21101447 | 0.95 | — | — | |
| SCHEMBL21101449 | 0.94 | CDK1 (0.30) | — | |
| SCHEMBL21101702 | 0.90 | CCNE2 (0.36) | — | |
| SCHEMBL21101704 | 0.90 | CCNE2 (0.36) | — | |
| SCHEMBL21101807 | 0.90 | CDK1 (0.38) | — | |
| SCHEMBL23094419 | 0.87 | ADORA3 (0.36) | — | |
| SCHEMBL21101445 | 0.87 | ADORA3 (0.36) | — | |
| SCHEMBL21101587 | 0.86 | — | — | |
| SCHEMBL21101711 | 0.83 | CCNE2 (0.34) | — | |
| SCHEMBL21101708 | 0.80 | ADORA3 (0.34) | — |
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-10815266-B2 | β-D-2′-deoxy-2′-α-fluoro-2′-β-C-substituted-2-modified-N6-substituted purine nucleotides for HCV treatment | Atea Pharmaceuticals, Inc. (US) | 2020-10-27 | — | — | US | disclosed |
| US-20190177356-A1 | BETA-D-2'-DEOXY-2'-ALPHA-FLUORO-2'-BETA-C-SUBSTITUTED-2-MODIFIED-N6-SUBSTITUTED PURINE NUCLEOTIDES FOR HCV TREATMENT | Atea Pharmaceuticals, Inc. (US) | 2019-06-13 | — | — | US | disclosed |