SCHEMBL1672477

SCHEMBL1672477

O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C1CCCCC1.[Na+]

nearest known ligand 0.33

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.

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTR1E P28566 1/20 0.33
S1PR3 Q99500 1/20 0.33
ENPP3 O14638 3/20 0.30
ENPP2 Q13822 2/20 0.30
ENPP1 P22413 2/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL18785599 0.86 LMNA (0.34) ALDH1A1LMNAMAPTHTR1ES1PR3
SCHEMBL18785786 0.86 LMNA (0.34) ALDH1A1LMNAMAPTHTR1ES1PR3
SCHEMBL18785600 0.86 LMNA (0.34) ALDH1A1LMNAMAPTHTR1ES1PR3
SCHEMBL18785602 0.86 LMNA (0.34) ALDH1A1LMNAMAPTHTR1ES1PR3
SCHEMBL384333 0.86 LMNA (0.34) ALDH1A1LMNAMAPTHTR1ES1PR3
SCHEMBL18785783 0.86 LMNA (0.34) ALDH1A1LMNAMAPTHTR1ES1PR3
SCHEMBL18785776 0.86 LMNA (0.34) ALDH1A1LMNAMAPTHTR1ES1PR3
SCHEMBL1672480 0.85 LMNA (0.34) ALDH1A1LMNAMAPTHTR1ES1PR3
SCHEMBL12216079 0.84 ALDH1A1 (0.33) ALDH1A1LMNAMAPTHTR1ES1PR3
SCHEMBL546232 0.84 LMNA (0.41) ALDH1A1LMNAMAPTHTR1ES1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1710230-B1 Novel sulfonate salts and derivatives, photoacid generators, resist compositions, and patterning process SHINETSU CHEMICAL CO (JP) 2013-08-14 EP disclosed
US-7919226-B2 Sulfonate salts and derivatives, photoacid generators, resist compositions, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-04-05 US disclosed
US-7514202-B2 Thermal acid generator, resist undercoat material and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-04-07 US disclosed
US-7511169-B2 Sulfonate salts and derivatives, photoacid generators, resist compositions, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-03-31 US disclosed
US-20080318160-A1 Novel sulfonate salts and derivatives, photoacid generators, resist compositions, and patterning process RITTAL GMBH & CO. KG (DE) 2008-12-25 US disclosed
US-20070264596-A1 Thermal acid generator, resist undercoat material and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2007-11-15 US disclosed
US-20060228648-A1 Novel sulfonate salts and derivatives, photoacid generators, resist compositions, and patterning process SHIN-ETSU CHEMICAL CO., LTD. 2006-10-12 US disclosed
EP-1710230-A1 Novel sulfonate salts and derivatives, photoacid generators, resist compositions, and patterning process Shin-Etsu Chemical Co., Ltd. (JP) 2006-10-11 EP disclosed