SCHEMBL1735906

SCHEMBL1735906

O=S(=O)([O-])C(F)(F)C(F)C(F)(F)F.[Na+]

nearest known ligand 0.00

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

⚠ 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
Silver SCHEMBL7708235 0.95
Potassium Ion SCHEMBL357233 0.95
Lithium Ion SCHEMBL9055079 0.95
SCHEMBL1862536 0.78 MEN1 (0.30)
SCHEMBL1858853 0.77 DNM1 (0.38)
SCHEMBL7708128 0.75 GPR3 (0.34)
SCHEMBL28630000 0.75
SCHEMBL23295130 0.72
SCHEMBL15555718 0.72
Lithium Ion SCHEMBL1865839 0.72

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 99 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8027096-A None JP disclosed
US-20140286849-A1 Mixtures of Ammonia and Ionic Liquids E. I. DU PONT DE NEMOURS AND COMPANY (US) 2014-09-25 US disclosed
US-8715521-B2 Absorption cycle utilizing ionic liquid as working fluid E I DU PONT DE NEMOURS AND COMPANY (US) 2014-05-06 US disclosed
US-8707720-B2 Hybrid vapor compression-absorption cycle E I DU PONT DE NEMOURS AND COMPANY (US) 2014-04-29 US disclosed
US-8628644-B2 Utilizing ionic liquids for hydrofluorocarbon separation E I DU PONT NEMOURS AND COMPANY (US) 2014-01-14 US disclosed
US-8568608-B2 Vapor compression cycle utilizing ionic liquid as compressor lubricant E I DU PONT DE NEMOURS AND COMPANY (US) 2013-10-29 US disclosed
US-20130231448-A1 PROCESS FOR SEPARATION OF TETRAFLUOROETHYLENE FROM CARBON DIOXIDE USING IONIC LIQUIDS E I DU PONT DE NEMOURS AND COMPANY (US) 2013-09-05 US disclosed
US-8313558-B2 Process for separation of tetrafluoroethylene from carbon dioxide using ionic liquids E I DU PONT DE NEMOURS AND COMPANY (US) 2012-11-20 US disclosed
EP-2129737-B1 HEAT TRANSFER SYSTEMS USING MIXTURES OF POLYOLS AND IONIC LIQUIDS DU PONT (US) 2012-10-17 EP disclosed
EP-1954680-B1 IONIC LIQUIDS DU PONT (US) 2012-05-23 EP disclosed
US-20070100181-A1 Olefin isomerization E. I. DU PONT DE NEMOURS AND COMPANY 2007-05-03 US disclosed
US-20070100183-A1 Alkylation of aromatic compounds E. I. DU PONT DE NEMOURS AND COMPANY 2007-05-03 US disclosed
US-20070066854-A1 Preparation of polytrimethylene ether glycol and copolymers thereof THE CHEMOURS COMPANY FC, LLC 2007-03-22 US disclosed
US-20070066852-A1 Preparation of poly(tetramethylene) glycol THE CHEMOURS COMPANY FC, LLC 2007-03-22 US disclosed
US-20070066822-A1 Ionic liquids THE CHEMOURS COMPANY FC, LLC 2007-03-22 US disclosed
US-20070066853-A1 Preparation of poly(tetramethylene) glycol E. I. DU PONT DE NEMOURS AND COMPANY 2007-03-22 US disclosed
US-20070066834-A1 Ionic liquids E. I. DU PONT DE NEMOURS AND COMPANY 2007-03-22 US disclosed
US-20070019708-A1 Hybrid vapor compression-absorption cycle E. I. DU PONT DE NEMOURS AND COMPANY 2007-01-25 US disclosed
US-20060197053-A1 Absorption cycle utilizing ionic liquid as working fluid E. I. DU PONT DE NEMOURS AND COMPANY 2006-09-07 US disclosed
JP-H0827096-A LITHIUM ORGANIC SULFONATE ASAHI CHEM IND CO LTD 1996-01-30 JP disclosed