⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6057296 | 0.80 | — | — | |
| SCHEMBL27430281 | 0.78 | THRB (0.40) | — | |
| SCHEMBL20082269 | 0.77 | — | — | |
| SCHEMBL7961708 | 0.77 | — | — | |
| SCHEMBL22700918 | 0.77 | TSHR (0.37) | — | |
| SCHEMBL16315838 | 0.77 | — | — | |
| SCHEMBL7961710 | 0.77 | — | — | |
| SCHEMBL1722451 | 0.77 | — | — | |
| SCHEMBL19415935 | 0.75 | — | — | |
| SCHEMBL16313109 | 0.75 | TSHR (0.33) | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3091011-B1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMA (US) | 2017-12-27 | — | — | EP | disclosed |
| US-9758510-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2017-09-12 | — | — | US | disclosed |
| US-9751890-B2 | Heteroaryl derivatives as CFTR modulators | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2017-09-05 | — | — | US | disclosed |
| US-20170107225-A1 | HETEROARYL DERIVATIVES AS CFTR MODULATORS | VERTEX PHARMACEUTICALS INCORPORATED | 2017-04-20 | — | — | US | disclosed |
| US-9550761-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2017-01-24 | — | — | US | disclosed |
| US-20160332997-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED | 2016-11-17 | — | — | US | disclosed |
| EP-3091011-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Inc. (US) | 2016-11-09 | — | — | EP | disclosed |
| US-20160271105-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED | 2016-09-22 | — | — | US | disclosed |
| EP-3067359-A1 | SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE | Petersen, Scott G. (US) | 2016-09-14 | — | — | EP | disclosed |
| EP-2674428-B1 | Modulators of ATP-binding cassette transporters | VERTEX PHARMA (US) | 2016-04-06 | — | — | EP | disclosed |
| US-20150094304-A1 | Modulators of ATP-Binding Cassette Transporters | VERTEX PHARMA (US) | 2015-04-02 | — | — | US | disclosed |
| US-8952050-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-02-10 | — | — | US | disclosed |
| US-8796312-B2 | Heteroaryl derivatives as CFTR modulators | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-08-05 | — | — | US | disclosed |
| US-8759335-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-06-24 | — | — | US | disclosed |
| US-20140080826-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-03-20 | — | — | US | disclosed |
| US-20140080825-A1 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-03-20 | — | — | US | disclosed |
| US-20110294869-A1 | SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE | TRAVERSA THERAPEUTICS, INC. (US) | 2011-12-01 | — | — | US | disclosed |