⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14052106 | 0.87 | — | — | |
| SCHEMBL12454573 | 0.87 | — | — | |
| SCHEMBL12454575 | 0.86 | — | — | |
| SCHEMBL15084442 | 0.86 | — | — | |
| SCHEMBL12454576 | 0.86 | — | — | |
| SCHEMBL12454577 | 0.84 | — | — | |
| SCHEMBL10142084 | 0.82 | TMPRSS2 (0.34) | — | |
| SCHEMBL17722654 | 0.82 | TMPRSS2 (0.34) | — | |
| SCHEMBL12295039 | 0.81 | PIK3CD (0.30) | — | |
| SCHEMBL13667815 | 0.81 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2480559-B1 | PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF 1'-CYANO-CARBANUCLEOSIDE ANALOGS | GILEAD SCIENCES INC (US) | 2013-07-03 | — | — | EP | disclosed |
| US-20110230654-A1 | PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF 1'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS | GILEAD SCIENCES, INC. (US) | 2011-09-22 | — | — | US | disclosed |