SCHEMBL2344305

SCHEMBL2344305

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

nearest known ligand 0.40

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 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
MAPK1 P28482 2/20 0.40
GMNN O75496 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
THPO P40225 1/20 0.40
HBB P68871 1/20 0.40
PMP22 Q01453 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RECQL P46063 2/20 0.34
EPHX2 P34913 2/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
BLM P54132 1/20 0.34
BBOX1 O75936 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
ENPEP Q07075 1/20 0.32

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
SCHEMBL11787666 0.80 TSHR (0.40) TSHRMAPK1GMNNALDH1A1LMNA
SCHEMBL2343589 0.78 APP (0.38) GMNNALDH1A1LMNATHPOSMN1; SMN2
SCHEMBL2344309 0.76 APP (0.37) GMNNALDH1A1LMNATHPOSMN1; SMN2
SCHEMBL17162125 0.75 GMNN (0.33) TSHRMAPK1GMNNALDH1A1LMNA
SCHEMBL921255 0.75 TSHR (0.63) TSHRMAPK1GMNNALDH1A1LMNA
SCHEMBL2289785 0.75 TSHR (0.63) TSHRMAPK1GMNNALDH1A1LMNA
SCHEMBL3386062 0.75 TSHR (0.63) TSHRMAPK1GMNNALDH1A1LMNA
SCHEMBL3385778 0.75 TSHR (0.63) TSHRMAPK1GMNNALDH1A1LMNA
SCHEMBL1009169 0.73 TSHR (0.50) TSHRMAPK1GMNNALDH1A1LMNA
SCHEMBL19812046 0.72 GMNN (0.44) TSHRMAPK1GMNNALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115044421-A Silicon wafer cleaning agent and preparation method thereof 宜兴市华青润滑材料科技有限公司 2022-09-13 CN disclosed
CN-105907489-A Silicon wafer cleaning agent and method for preparing same 安庆友仁电子有限公司 2016-08-31 CN disclosed
US-8008358-B2 having terminal pentafluorosulfuranyl group or terminal trifluoromethoxy group and also a polar end group; fully degradable substitutes for perfluorinated surfactants; paint, fire-extinguishing composition, lubricant, cleaner, deicer, hydrophobicising for textile finishing or glass treatment; emulsifier MERCK PATENT GMBH (DE) 2011-08-30 US disclosed
EP-2208723-A1 Fluorosurfactants Merck Patent GmbH (DE) 2010-07-21 EP disclosed
EP-1833786-B1 FLUOROSURFACTANTS MERCK PATENT GMBH (DE) 2010-02-17 EP disclosed
US-20080149878-A1 having terminal pentafluorosulfuranyl group or terminal trifluoromethoxy group and also a polar end group; fully degradable substitutes for perfluorinated surfactants; paint, fire-extinguishing composition, lubricant, cleaner, deicer, hydrophobicising for textile finishing or glass treatment; emulsifier MERCK PATENT GMBH (DE) 2008-06-26 US disclosed
CN-101098853-A Fluorosurfactants MERCK PATENT GMBH (DE) 2008-01-02 CN disclosed
EP-1833786-A1 FLUOROSURFACTANTS Merck Patent GmbH (DE) 2007-09-19 EP disclosed
WO-2006072401-A1 FLUOROSURFACTANTS MERCK PATENT GMBH (DE) 2006-07-13 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080149878-A1 having terminal pentafluorosulfuranyl group or terminal trifluoromethoxy group and also a polar end group; fully degradable substitutes for perfluorinated surfactants; paint, fire-extinguishing composition, lubricant, cleaner, deicer, hydrophobicising for textile finishing or glass treatment; emulsifier FFAR3, PFAS, FGR TSHR 178/4885MAPK1 4256/4885GMNN 3557/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.