⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2011670 | 1.00 | — | — | |
| SCHEMBL2447355 | 1.00 | — | — | |
| SCHEMBL4691011 | 0.87 | EPHX1 (0.34) | — | |
| SCHEMBL1023585 | 0.86 | KAT2B (0.39) | — | |
| SCHEMBL25394555 | 0.84 | CTSL (0.38) | — | |
| Hydrochloric Acid SCHEMBL3966982 | 0.84 | KAT2B (0.38) | — | |
| SCHEMBL3999275 | 0.84 | CTSL (0.38) | — | |
| SCHEMBL3839876 | 0.84 | CTSL (0.38) | — | |
| SCHEMBL7340651 | 0.83 | CTSL (0.33) | — | |
| SCHEMBL2286907 | 0.82 | — | — |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8586615-B2 | Modulators of cystic fibrosis transmembrane conductance regulator | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-11-19 | — | — | US | claimed |
| US-20120010257-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-01-12 | — | — | US | claimed |
| US-7999113-B2 | Such as 1-(benzo[d][1,3]dioxol-6-yl)-n-(5-((2-chlorophenyl)(3-hydroxypyrrolidin-1-yl)methyl)thiazol-2-yl)cyclopropanecarboxamide; genetic disorders | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-08-16 | — | — | US | claimed |
| EP-1912983-B1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMA (US) | 2011-06-08 | — | — | EP | claimed |
| US-20080161371-A1 | Modulators of cystic fibrosis transmembrane conductance regulator | FIRST-CITIZENS BANK & TRUST COMPANY | 2008-07-03 | — | — | US | claimed |
| EP-1761542-B1 | OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS | HOFFMANN LA ROCHE (CH) | 2008-01-02 | — | — | EP | claimed |
| CN-118900839-A | Antiviral compounds and methods of making and using the same | 吉利德科学公司 | 2024-11-05 | — | — | CN | disclosed |
| US-20230382940-A1 | ANTIVIRAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME | GILEAD SCIENCES, INC. | 2023-11-30 | — | — | US | disclosed |
| WO-2023168254-A1 | ANTIVIRAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME | GILEAD SCIENCES, INC. (US) | 2023-09-07 | — | — | WO | disclosed |
| US-9856248-B2 | Modulators of cystic fibrosis transmembrane conductance regulator | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2018-01-02 | — | — | US | disclosed |
| US-20170174675-A9 | Modulators of Cystic Fibrosis Transmembrane Conductance Regulator | VERTEX PHARMACEUTICALS INCORPORATED | 2017-06-22 | — | — | US | disclosed |
| US-20160237079-A1 | Modulators of Cystic Fibrosis Transmembrane Conductance Regulator | VERTEX PHARMA (US) | 2016-08-18 | — | — | US | disclosed |
| US-9351962-B2 | Modulators of cystic fibrosis transmembrane conductance regulator | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2016-05-31 | — | — | US | disclosed |
| US-8962856-B2 | Modulators of cystic fibrosis transmembrane conductance regulator | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-02-24 | — | — | US | disclosed |
| US-20140121381-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-05-01 | — | — | US | disclosed |
| US-8586615-B2 | Modulators of cystic fibrosis transmembrane conductance regulator | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-11-19 | — | — | US | disclosed |
| US-20120010257-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-01-12 | — | — | US | disclosed |
| US-7999113-B2 | Such as 1-(benzo[d][1,3]dioxol-6-yl)-n-(5-((2-chlorophenyl)(3-hydroxypyrrolidin-1-yl)methyl)thiazol-2-yl)cyclopropanecarboxamide; genetic disorders | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-08-16 | — | — | US | disclosed |
| EP-1912983-B1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMA (US) | 2011-06-08 | — | — | EP | disclosed |
| US-20080161371-A1 | Modulators of cystic fibrosis transmembrane conductance regulator | FIRST-CITIZENS BANK & TRUST COMPANY | 2008-07-03 | — | — | US | disclosed |