⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3865305 | 0.50 | — | — | |
| SCHEMBL16169485 | 0.43 | — | — | |
| SCHEMBL31414738 | 0.39 | — | — | |
| Benzene SCHEMBL1951518 | 0.36 | TP53 (0.38) | — | |
| SCHEMBL13528411 | 0.36 | — | — | |
| SCHEMBL4311227 | 0.36 | MEN1 (0.33) | — | |
| SCHEMBL42968 | 0.35 | GRIN2D (0.33) | — | |
| SCHEMBL22689491 | 0.35 | — | — | |
| SCHEMBL10954874 | 0.32 | GRIN2D (0.31) | — | |
| Hydrochloric Acid SCHEMBL4178849 | 0.32 | GRIN2D (0.31) | — |
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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9399648-B2 | Isothiazolopyridinones useful for the treatment of (inter alia) cystic fibrosis | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2016-07-26 | — | — | US | claimed |
| EP-2187884-B1 | ISOTHIAZOLOPYRIDINONES USEFUL FOR THE TREATMENT OF (INTER ALIA) CYSTIC FIBROSIS | VERTEX PHARMA (US) | 2016-03-30 | — | — | EP | claimed |
| US-9051324-B2 | Modulators of cystic fibrosis transmembrane conductance regulator | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-06-09 | — | — | US | claimed |
| US-20150031720-A1 | ISOTHIAZOLOPYRIDINONES USEFUL FOR THE TREATMENT OF (INTER ALIA) CYSTIC FIBROSIS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-01-29 | — | — | US | claimed |
| US-8802844-B2 | Isothiazolopyridinones useful for the treatment of (inter alia) cystic fibrosis | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-08-12 | — | — | US | claimed |
| US-20140073653-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-03-13 | — | — | US | claimed |
| US-8552006-B2 | Modulators of cystic fibrosis transmembrane conductance regulator | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-10-08 | — | — | US | claimed |
| EP-2231671-B1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMA (US) | 2013-04-24 | — | — | EP | claimed |
| US-8367660-B2 | Modulators of cystic fibrosis transmembrane conductance regulator | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-02-05 | — | — | US | claimed |
| US-20110008259-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-01-13 | — | — | US | claimed |
| US-20100249180-A1 | ISOTHIAZOLOPYRIDINONES USEFUL FOR THE TREATMENT OF (INTER ALIA) CYSTIC FIBROSIS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-09-30 | — | — | US | claimed |
| EP-2231671-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | Vertex Pharmaceuticals Incorporated (US) | 2010-09-29 | — | — | EP | claimed |
| EP-2187884-A2 | ISOTHIAZOLOPYRIDINONES USEFUL FOR THE TREATMENT OF (INTER ALIA) CYSTIC FIBROSIS | Vertex Pharmaceuticals Incorporated (US) | 2010-05-26 | — | — | EP | claimed |
| WO-2009076593-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-06-18 | — | — | WO | claimed |
| WO-2009038913-A2 | ISOTHIAZOLOPYRIDINONES USEFUL FOR THE TREATMENT OF (INTER ALIA) CYSTIC FIBROSIS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-03-26 | — | — | WO | claimed |
| CN-109535145-B | 1,3,4-oxa (thia) diazolyl imidazole compound and preparation method and application thereof | 贵州大学 | 2022-05-24 | — | — | CN | disclosed |
| CN-109651350-B | Heterocyclic substituted 1,3,4-oxa (thia) diazoles compound and preparation method and application thereof | 贵州大学 | 2022-05-24 | — | — | CN | disclosed |
| EP-0072013-B1 | PYRROLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS | MERCK & CO. INC. (US) | 1986-04-16 | — | — | EP | disclosed |
| US-4434175-A | 5-AROYL-PYRROLE ALKANOIC ACIDS | MERCK & CO., INC. (US) | 1984-02-28 | — | — | US | disclosed |
| EP-0072013-A1 | Pyrrole compounds as anti-inflammatory and analgesic agents | MERCK & CO. INC. (US) | 1983-02-16 | — | — | EP | disclosed |