⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12827530 | 0.77 | ALDH1A1 (0.36) | — | |
| SCHEMBL12033643 | 0.75 | — | — | |
| SCHEMBL3813709 | 0.75 | — | — | |
| SCHEMBL4741973 | 0.72 | — | — | |
| SCHEMBL14845725 | 0.72 | LMNA (0.36) | — | |
| SCHEMBL7099612 | 0.67 | — | — | |
| SCHEMBL626215 | 0.65 | — | — | |
| SCHEMBL22667765 | 0.64 | MAOB (0.34) | — | |
| SCHEMBL24596160 | 0.64 | CRBN (0.38) | — | |
| SCHEMBL24697088 | 0.64 | FABP6 (0.37) | — |
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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3882245-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2021-09-22 | — | — | EP | disclosed |
| EP-3327016-B1 | PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMA (US) | 2021-06-16 | — | — | EP | disclosed |
| EP-3327016-A1 | PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2018-05-30 | — | — | EP | disclosed |
| 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-20170189389-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2017-07-06 | — | — | US | disclosed |
| US-20160332997-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED | 2016-11-17 | — | — | US | disclosed |
| US-20160271105-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED | 2016-09-22 | — | — | US | disclosed |
| EP-2674428-B1 | Modulators of ATP-binding cassette transporters | VERTEX PHARMA (US) | 2016-04-06 | — | — | EP | disclosed |
| EP-2007756-B1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMA (US) | 2015-08-26 | — | — | EP | disclosed |
| US-8912199-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-12-16 | — | — | US | disclosed |
| US-20140329814-A2 | Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases | VERTEX PHARMA (US) | 2014-11-06 | — | — | US | disclosed |
| US-20140080826-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-03-20 | — | — | US | disclosed |
| US-20140057906-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-02-27 | — | — | US | disclosed |
| US-8623905-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-01-07 | — | — | US | disclosed |
| US-8575209-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-11-05 | — | — | US | disclosed |
| US-20130178471-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vextex Pharmaceuticals Incorporated (US) | 2013-07-11 | — | — | US | disclosed |
| US-20120145974-A1 | CHROMENE COMPOUND | TOKUYAMA CORPORATION (JP) | 2012-06-14 | — | — | US | disclosed |
| EP-2447267-A1 | CHROMENE COMPOUND | Tokuyama Corporation (JP) | 2012-05-02 | — | — | EP | disclosed |
| US-20110098311-A1 | COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES | Vertex Pharmaceuticals Incorported (US) | 2011-04-28 | — | — | US | disclosed |