⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10110030 | 1.00 | — | — | |
| SCHEMBL10110049 | 1.00 | — | — | |
| SCHEMBL26383052 | 0.88 | ALDH1A1 (0.33) | — | |
| SCHEMBL20129796 | 0.88 | ALDH1A1 (0.33) | — | |
| Acetic Acid SCHEMBL4476436 | 0.81 | LMNA (0.41) | — | |
| SCHEMBL13635219 | 0.81 | TDP1 (0.39) | — | |
| SCHEMBL18511207 | 0.80 | ALDH1A1 (0.35) | — | |
| SCHEMBL25517 | 0.80 | — | — | |
| SCHEMBL1772274 | 0.80 | — | — | |
| SCHEMBL28068435 | 0.80 | MMP12 (0.43) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-20150126566-A1 | Modulators of Cystic Fibrosis Transmembrane Conductance Regulator | VERTEX PHARMACEUTICALS INCORPORATED | 2015-05-07 | — | — | 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 |
| US-20080161371-A1 | Modulators of cystic fibrosis transmembrane conductance regulator | FIRST-CITIZENS BANK & TRUST COMPANY | 2008-07-03 | — | — | US | disclosed |