⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28004189 | 0.79 | — | — | |
| SCHEMBL1822588 | 0.73 | — | — | |
| SCHEMBL29015342 | 0.73 | — | — | |
| SCHEMBL25842994 | 0.73 | — | — | |
| SCHEMBL4398631 | 0.72 | — | — | |
| SCHEMBL3873177 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL23536142 | 0.70 | — | — | |
| SCHEMBL5181216 | 0.67 | — | — | |
| SCHEMBL8899108 | 0.67 | — | — | |
| SCHEMBL10358961 | 0.66 | ALDH1A1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1515971-A2 | CARBOCYCLIC NUCLEOSIDE DERIVATIVES AS INHIBITORS OF RNA-DEPENDENT RNA VIRAL POLYMERASE | Merck & Co., Inc. (US) | 2005-03-23 | — | — | EP | disclosed |
| WO-2003106477-A1 | OLIGOMERIC COMPOUNDS THAT INCLUDE CARBOCYCLIC NUCLEOSIDES AND THEIR USE IN GENE MODULATION | ISIS PHARMACEUTICALS, INC. (US) | 2003-12-24 | — | — | WO | disclosed |
| WO-2003105770-A2 | CARBOCYCLIC NUCLEOSIDE DERIVATIVES AS INHIBITORS OF RNA-DEPENDENT RNA VIRAL POLYMERASE | MERCK & CO., INC. (US) | 2003-12-24 | — | — | WO | disclosed |