⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10074939 | 0.78 | L3MBTL1 (0.31) | — | |
| SCHEMBL502971 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL13865671 | 0.77 | CYP4F2 (0.33) | — | |
| SCHEMBL10453712 | 0.77 | — | — | |
| SCHEMBL13172935 | 0.75 | FFAR3 (0.37) | — | |
| Alcohol SCHEMBL5806211 | 0.73 | TSHR (0.43) | — | |
| SCHEMBL13606770 | 0.73 | HMGCR (0.33) | — | |
| SCHEMBL7705510 | 0.73 | HTT (0.33) | — | |
| SCHEMBL15745579 | 0.73 | KDM4E (0.39) | — | |
| SCHEMBL15113256 | 0.73 | — | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9770439-B2 | Hepatitis C virus inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-09-26 | — | — | US | disclosed |
| US-20160158200-A1 | Combinations of Hepatitis C Virus Inhibitors | BRISTOL MYERS SQUIBB CO (US) | 2016-06-09 | — | — | US | disclosed |
| US-20150297568-A1 | Hepatitis C Virus Inhibitors | BRISTOL MYERS SQUIBB CO (US) | 2015-10-22 | — | — | US | disclosed |
| US-20150023913-A1 | Hepatitis C Virus Inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2015-01-22 | — | — | US | disclosed |
| US-8163763-B2 | Pyrimidine compounds, compositions and methods of use | GENENTECH, INC. (US) | 2012-04-24 | — | — | US | disclosed |
| US-7645771-B2 | CCR5 antagonists as therapeutic agents | SMITHKLINE BEECHAM CORP. (US) | 2010-01-12 | — | — | US | disclosed |
| US-7589204-B2 | Indane compounds as CCR5 antagonists | SMITHKLINE BEECHAM CORPORATION (US) | 2009-09-15 | — | — | US | disclosed |
| US-20090203663-A1 | CHEMICAL COMPOUNDS | ASTRAZENECA AB (SE) | 2009-08-13 | — | — | US | disclosed |
| US-7569579-B2 | for inhibition of HIV replication and treatment of acquired immune deficiency syndrome | SMITHKLINE BEECHAM CORPORATION (US) | 2009-08-04 | — | — | US | disclosed |
| US-7569579-B2 | for inhibition of HIV replication and treatment of acquired immune deficiency syndrome | SMITHKLINE BEECHAM CORPORATION (US) | 2009-08-04 | — | — | US | disclosed |
| US-20090187021-A1 | INDANE COMPOUNDS AS CCR5 ANTAGONISTS | YOUNGMAN MICHAEL | 2009-07-23 | — | — | US | disclosed |
| US-20090137601-A1 | L-Phenylalanine Derivatives | ASTRAZENECA AB (SE) | 2009-05-28 | — | — | US | disclosed |
| US-7531661-B2 | Indane compounds as CCR5 antagonists | SMITHKLINE BEECHAM CORPORATION (US) | 2009-05-12 | — | — | US | disclosed |
| US-20090053172-A1 | HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS | AQUINO CHRISTOPHER JOSEPH | 2009-02-26 | — | — | US | disclosed |
| US-7452992-B2 | inhibition of HIV replication, the prevention or treatment of an HIV infection, and in the treatment of the resulting acquired immune deficiency syndrome (AIDS); 1-((1R,5S)-8-{2-[3-(2,2-dimethylpropanoyl)-6-phenyl-1,3-oxazinan-6-yl]ethyl}-8-azabicyclo[3.2.1]oct-3-yl)-2-methyl-1H-benzimidazole | SMITHKLINE BEECHAM CORPORATION (US) | 2008-11-18 | — | — | US | disclosed |
| US-7271172-B2 | Pyrrolidine and azetidine compounds as CCR5 antagonists | SMITHKLINE BEECHAM CORPORATION (US) | 2007-09-18 | — | — | US | disclosed |