SCHEMBL1082306

SCHEMBL1082306

O=P([O-])(CC=CF)CC=CF.[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
SCHEMBL1170238 0.83
SCHEMBL4479633 0.73
SCHEMBL1797561 0.69
SCHEMBL15254490 0.69
Lithium Ion SCHEMBL2641267 0.67
Hydrochloric Acid SCHEMBL15666046 0.67
SCHEMBL3853858 0.65
SCHEMBL18305924 0.63
SCHEMBL692843 0.59
Potassium Ion SCHEMBL18203957 0.59 SLC34A1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624160-B2 Reactive ionic liquids BASF SE (DE) 2017-04-18 US claimed
US-20150152045-A1 REACTIVE IONIC LIQUIDS BASF SE 2015-06-04 US claimed
US-9006457-B2 Reactive ionic liquids BASF SE (DE) 2015-04-14 US claimed
JP-2011525173-A 2011-09-15 JP claimed
US-20110045359-A1 Reactive ionic liquids MERCK PATENT GESELLSCHAFT (DE) 2011-02-24 US claimed
EP-2274291-A2 REACTIVE IONIC LIQUIDS Merck Patent GmbH (DE) 2011-01-19 EP claimed
WO-2009132740-A2 REACTIVE IONIC LIQUIDS MERCK PATENT GMBH, (DE) 2009-11-05 WO claimed
US-9624160-B2 Reactive ionic liquids BASF SE (DE) 2017-04-18 US disclosed
EP-3061757-A1 REACTIVE IONIC LIQUIDS BASF SE (DE) 2016-08-31 EP disclosed
US-20150152045-A1 REACTIVE IONIC LIQUIDS BASF SE 2015-06-04 US disclosed
US-9006457-B2 Reactive ionic liquids BASF SE (DE) 2015-04-14 US disclosed
US-20110045359-A1 Reactive ionic liquids MERCK PATENT GESELLSCHAFT (DE) 2011-02-24 US disclosed
EP-2274291-A2 REACTIVE IONIC LIQUIDS Merck Patent GmbH (DE) 2011-01-19 EP disclosed
WO-2009132740-A2 REACTIVE IONIC LIQUIDS MERCK PATENT GMBH, (DE) 2009-11-05 WO disclosed