⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4830339 | 0.86 | PRMT5 (0.39) | — | |
| SCHEMBL1740225 | 0.82 | RAPGEF3 (0.39) | — | |
| SCHEMBL14278951 | 0.80 | HSP90AA1 (0.30) | — | |
| SCHEMBL4837707 | 0.80 | — | — | |
| SCHEMBL4839457 | 0.80 | — | — | |
| SCHEMBL1054423 | 0.75 | SLC28A1 (0.34) | — | |
| SCHEMBL12990453 | 0.75 | STING1 (0.33) | — | |
| SCHEMBL5484247 | 0.74 | STING1 (0.32) | — | |
| SCHEMBL13030116 | 0.70 | NT5E (0.43) | — | |
| SCHEMBL12636331 | 0.69 | LMNA (0.32) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7323449-B2 | Thionucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase | MERCK & CO., INC. (US) | 2008-01-29 | — | — | US | disclosed |
| US-7323449-B2 | Thionucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase | MERCK & CO., INC. (US) | 2008-01-29 | — | — | US | disclosed |
| US-20060122154-A1 | Thionucleoside derivatives as inhibitors of rna-dependent rna viral polymerase | MERCK SHARP & DOHME CORP. | 2006-06-08 | — | — | US | disclosed |