⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13302299 | 0.77 | PTGS1 (0.41) | — | |
| SCHEMBL7822319 | 0.71 | HTR1A (0.37) | — | |
| SCHEMBL31146839 | 0.68 | — | — | |
| SCHEMBL14618031 | 0.67 | TSHR (0.34) | — | |
| SCHEMBL4511338 | 0.64 | TSHR (0.36) | — | |
| SCHEMBL790274 | 0.64 | — | — | |
| SCHEMBL790275 | 0.64 | — | — | |
| SCHEMBL1705440 | 0.64 | — | — | |
| SCHEMBL19360736 | 0.64 | — | — | |
| SCHEMBL7808554 | 0.64 | HTR1A (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7741281-B2 | Hepatitis C virus inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-06-22 | — | — | US | disclosed |
| US-20080107623-A1 | Inhibitors of Hepatitis C Virus | BRISTOL-MYERS SQUIBB COMPANY | 2008-05-08 | — | — | US | disclosed |
| US-20070099825-A1 | ethyl 2-(biphenyl-4-yl)-6-(tert-butoxycarbonylamino)-2-methoxy-8-(2-nitrophenylsulfonyl)-5,16-dioxo-1,2,3,5,6,7,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[n]pyrrolo[2,1-c][1,4,8]triazacyclopentadecine-14a-carboxylate; viricide; synergistic with other active ingredients | BRISTOL-MYERS SQUIBB COMPANY | 2007-05-03 | — | — | US | disclosed |
| US-7173004-B2 | Macrocyclic isoquinoline peptide inhibitors of hepatitis C virus | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-02-06 | — | — | US | disclosed |