SCHEMBL13280484

SCHEMBL13280484

CC#CN1C=CN(C#CC)C1

nearest known ligand 0.00

⚠ 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.

Compoundsimilaritytop predictedshared targets
Bromide SCHEMBL28849787 0.97
SCHEMBL2150996 0.84
Bromide SCHEMBL28871706 0.82
Bromide SCHEMBL28871700 0.77
Bromide SCHEMBL29158003 0.73
SCHEMBL4129563 0.52
SCHEMBL4551435 0.52
SCHEMBL4331427 0.48
SCHEMBL8664494 0.47
SCHEMBL231187 0.45

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE48165-E1 Alkenyl (perfluoroalkyl) phosphinic acids MERCK PATENT GMBH (DE) 2020-08-18 US disclosed
US-10160777-B2 Alkenyl(perfluoroalkyl)phosphinic acids MERCK PATENT GMBH (DE) 2018-12-25 US disclosed
EP-3207047-B1 ALKENYL (PERFLUOROALKYL) PHOSPHINIC ACID MERCK PATENT GMBH (DE) 2018-09-12 EP disclosed
US-20170240574-A1 ALKENYL (PERFLUOROALKYL) PHOSPHINIC ACIDS MERCK PATENT GMBH (DE) 2017-08-24 US disclosed
WO-2016058665-A1 METHOD FOR PRODUCING COMPOUNDS WITH MONOFLUOROTRICYANOBORATE ANIONS MERCK PATENT GMBH (DE) 2016-04-21 WO disclosed
US-9175021-B2 Process for the preparation of perfluoroalkylcyano- or perfluoroalkylcyanofluoroborates MERCK PATENT GMBH (DE) 2015-11-03 US disclosed
US-20150291515-A1 SALTS CONTAINING TRIHYDROPERFLUOROALKOXYBUTANESULFONATE OR TRIHYDROPERFLUOROALKOXYPROPANESULFONATE ANION MERCK PATENT GMBH (DE) 2015-10-15 US disclosed
EP-2914578-A1 SALTS WITH TRIHYDROPERFLUOROALKOXYBUTANE SULFONATE OR TRIHYDROPERFLUOROALKOXYPROPANE SULFONATE ANION Merck Patent GmbH (DE) 2015-09-09 EP disclosed
US-20150166588-A1 PROCESS FOR THE PREPARATION OF PERFLUOROALKYLCYANO- OR PERFLUOROALKYLCYANOFLUOROBORATES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2015-06-18 US disclosed
EP-2621939-B1 FUNCTIONALIZED FLUOROALKYL FLUOROPHOSPHATE SALTS MERCK PATENT GMBH (DE) 2015-06-10 EP disclosed
EP-2513123-B1 COMPOUNDS WITH (PERFLUORALKYL)FLUORO-HYDROGENPHOSPHATE ANIONS MERCK PATENT GMBH (DE) 2015-03-04 EP disclosed
US-8927757-B2 Process for the preparation of perfluoroalkylcyano- or perfluoroalkylcyanofluoroborates MERCK PATENT GMBH (DE) 2015-01-06 US disclosed
US-8916729-B2 Compounds with (perfluoroalkyl) fluorohydrogenphosphate anions MERCK PATENT GMBH (DE) 2014-12-23 US disclosed
US-8846922-B2 Functionalized fluoroalkyl fluorophosphate salts MERCK PATENT GMBH (DE) 2014-09-30 US disclosed
WO-2014067603-A1 SALTS WITH TRIHYDROPERFLUOROALKOXYBUTANE SULFONATE OR TRIHYDROPERFLUOROALKOXYPROPANE SULFONATE ANION MERCK PATENT GMBH (DE) 2014-05-08 WO disclosed
US-20130197228-A1 FUNCTIONALIZED FLUOROALKYL FLUOROPHOSPHATE SALTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-08-01 US disclosed
US-20120309981-A1 PROCESS FOR THE PREPARATION OF PERFLUOROALKYLCYANO- OR PERFLUOROALKYLCYANOFLUOROBORATES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-06 US disclosed
US-20120264946-A1 COMPOUNDS WITH (PERFLUOROALKYL) FLUOROHYDROGENPHOSPHATE ANIONS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-18 US disclosed