⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15583903 | 0.84 | MAPK1 (0.32) | — | |
| SCHEMBL12565549 | 0.60 | PHGDH (0.32) | — | |
| SCHEMBL8995158 | 0.55 | — | — | |
| SCHEMBL13621433 | 0.55 | — | — | |
| SCHEMBL3532276 | 0.55 | — | — | |
| SCHEMBL16869294 | 0.55 | — | — | |
| SCHEMBL3118431 | 0.52 | — | — | |
| SCHEMBL29495 | 0.46 | — | — | |
| SCHEMBL9720381 | 0.43 | — | — | |
| SCHEMBL1038693 | 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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150361060-A1 | CENTRALLY ACTIVE AND ORALLY BIOAVAILABLE ANTIDOTES FOR ORGANOPHOSPHATE EXPOSURE AND METHODS FOR MAKING AND USING THEM | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2015-12-17 | — | — | US | disclosed |
| US-8999976-B2 | Modulators of cystic fibrosis transmembrane conductance regulator | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-04-07 | — | — | US | disclosed |
| WO-2014127315-A1 | CENTRALLY ACTIVE AND ORALLY BIOAVAILABLE ANTIDOTES FOR ORGANOPHOSPHATE EXPOSURE AND METHODS FOR MAKING AND USING THEM | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2014-08-21 | — | — | WO | disclosed |
| EP-2349263-B1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMA (US) | 2014-04-23 | — | — | EP | disclosed |
| US-20130184313-A1 | NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2013-07-18 | — | — | US | disclosed |
| US-8461352-B2 | Process for preparing azabicyclic compounds | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-06-11 | — | — | US | disclosed |
| US-8445684-B2 | Nicotinic acetylcholine receptor ligands and the uses thereof | PsycoGenics Inc. (US) | 2013-05-21 | — | — | US | disclosed |
| US-8404865-B2 | Process for preparing azabicyclic compounds | VERTEX PHARMACEUTICALS (US) | 2013-03-26 | — | — | US | disclosed |
| US-8389727-B2 | Solid forms of N-(4-(7-Azabicyclo[2.2.1]Heptan-7-yl)-2-Trifluoromethyl)Phenyl)-4-Oxo-5-(Trifluoromethyl)-1,4-Dihydroquinoline-3-Carboxamide | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-03-05 | — | — | US | disclosed |
| US-8344147-B2 | Process for preparing modulators of cystic fibrosis transmembrane conductance regulator | VERTEX PHARMACEUTICAL INCORPORATED (US) | 2013-01-01 | — | — | US | disclosed |
| US-20120259129-A1 | Process for Preparing Azabicyclic Compounds | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-10-11 | — | — | US | disclosed |
| US-20120208841-A1 | Modulators of Cystic Fibrosis Transmembrane Conductance Regulator | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-08-16 | — | — | US | disclosed |
| US-20110124869-A1 | Process for Preparing Modulators of Cystic Fibrosis Transmembrane Conductance Regulator | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-05-26 | — | — | US | disclosed |
| US-20110123449-A1 | Solid Forms of N-(4-(7-Azabicyclo[2.2.1]Heptan-7-yl)-2-Trifluoromethyl)Phenyl)-4-Oxo-5-(Trifluoromethyl)-1,4-Dihydroquinoline-3-Carboxamide | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-05-26 | — | — | US | disclosed |
| US-20110065928-A1 | Process for Preparing Azabicyclic Compounds | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-03-17 | — | — | US | disclosed |
| US-20100152450-A1 | NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF | PSYCHOGENICS, INC. (US) | 2010-06-17 | — | — | US | disclosed |
| WO-2010045212-A2 | NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF | PSYCHOGENICS, INCSTATUTS (US) | 2010-04-22 | — | — | WO | disclosed |