⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL165390 | 0.81 | — | — | |
| SCHEMBL12011328 | 0.77 | MAPK1 (0.52) | — | |
| SCHEMBL2629428 | 0.77 | — | — | |
| SCHEMBL159502 | 0.77 | — | — | |
| SCHEMBL13543008 | 0.77 | HCAR2 (0.47) | — | |
| SCHEMBL4490261 | 0.77 | MAPK1 (0.67) | — | |
| SCHEMBL6212668 | 0.76 | — | — | |
| SCHEMBL12270026 | 0.76 | — | — | |
| SCHEMBL12462965 | 0.74 | HCAR2 (0.39) | — | |
| SCHEMBL1815487 | 0.74 | MAPK1 (0.48) | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1767528-B1 | PROCESS FOR PRODUCING 5-HYDROXY-4-THIOMETHYLPYRAZOLE COMPOUND | IHARA CHEMICAL IND CO (JP) | 2014-09-17 | — | — | EP | disclosed |
| CN-1938278-B | Process for producing 5-hydroxy-4-thiomethylpyrazole compound | IHARA CHEMICAL IND CO | 2012-12-12 | — | — | CN | disclosed |
| US-20100159210-A1 | Trisazo Dyestuffs With 6-Pyrazolyl-1-Naphtholsulphonic Acid as Middle Component | FUJIFILM IMAGING COLORANTS LIMITED (GB) | 2010-06-24 | — | — | 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-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-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-7488831-B2 | Process for producing 5-hydroxy-4-thiomethylpyrazole compound | IHARA CHEMICAL INDUSTRY CO., LTD. (JP) | 2009-02-10 | — | — | 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 |
| US-20070185334-A1 | Process for producing 5-hydroxy-4-thiomethylpyrazole compound | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 2007-08-09 | — | — | US | disclosed |
| EP-1767528-A1 | PROCESS FOR PRODUCING 5-HYDROXY-4-THIOMETHYLPYRAZOLE COMPOUND | IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) | 2007-03-28 | — | — | EP | disclosed |
| CN-1938278-A | Process for producing 5-hydroxy-4-thiomethylpyrazole compound | IHARA CHEMICAL IND CO (JP) | 2007-03-28 | — | — | CN | disclosed |