SCHEMBL193629

SCHEMBL193629

CCCCc1[nH]cc[n+]1C.CS(=O)(=O)[O-]

nearest known ligand 0.33

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

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 6)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KCNH2 Q12809 6/20 0.33
KCNA3 P22001 1/20 0.32
FFAR1 O14842 1/20 0.30
FFAR4 Q5NUL3 1/20 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
Sulfuric Acid SCHEMBL5983597 0.95 CA2 (0.34) CA2SMN1; SMN2KCNH2FFAR1FFAR4
Sulfuric Acid SCHEMBL62246 0.92 CA2 (0.33) CA2SMN1; SMN2KCNH2
SCHEMBL7135357 0.90 CA2 (0.30) CA2
SCHEMBL61178 0.89 FUT7 (0.33) CA2SMN1; SMN2KCNH2
SCHEMBL366057 0.88 KCNH2 (0.33) CA2SMN1; SMN2KCNH2FFAR1FFAR4
Trifluoromethanesulfonic Acid SCHEMBL20157 0.88 KCNH2 (0.47) CA2SMN1; SMN2KCNH2FFAR1FFAR4
SCHEMBL107551 0.88 HRH3 (0.34) KCNH2
SCHEMBL1578245 0.87 RECQL (0.35)
Sulfuric Acid SCHEMBL2554779 0.86 KCNH2 (0.39) CA2KCNH2KCNA3
Hydrochloric Acid SCHEMBL193045 0.86 HRH3 (0.33) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2986588-A2 IMPROVED ACRYLIC ACID AND ACRYLATE ESTER FROM LACTIDE PROCESS SGA Polymers, LLC (US) 2016-02-24 EP claimed
EP-2971190-A1 ALKALINE TREATMENT OF LIGNOCELLULOSIC BIOMASS Suganit Systems, Inc. (US) 2016-01-20 EP claimed
WO-2014172540-A2 IMPROVED ACRYLIC ACID AND ACRYLATE ESTER FROM LACTIDE PROCESS SGA POLYMERS, LLC (US) 2014-10-23 WO claimed
WO-2014144588-A1 ALKALINE TREATMENT OF LIGNOCELLULOSIC BIOMASS SUGANIT SYSTEMS, INC. (US) 2014-09-18 WO claimed
EP-2652193-A2 TREATMENT Imperial Innovations Limited (GB) 2013-10-23 EP claimed
WO-2012174459-A2 USE OF PRESSURE TO ENHANCE IONIC LIQUID PRETREATMENT OF BIOMASS SANDIA CORPORATION (US) 2012-12-20 WO claimed
WO-2012080702-A2 TREATMENT IMPERIAL INNOVATIONS LTD (GB) 2012-06-21 WO claimed
EP-2433121-A1 THERMALLY STABLE SERS TAGGANTS Cabot Security Materials Inc. (US) 2012-03-28 EP claimed
EP-2310907-A1 CONDUCTIVE MULTILAYER STACK PPG Industries Ohio, Inc. (US) 2011-04-20 EP claimed
WO-2011041455-A1 RECOVERY OF SUGARS FROM IONIC LIQUID BIOMASS LIQUOR BY SOLVENT EXTRACTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-04-07 WO claimed
WO-2010135351-A1 THERMALLY STABLE SERS TAGGANTS OXONICA MATERIALS INC. (US) 2010-11-25 WO claimed
WO-2010014648-A1 CONDUCTIVE MULTILAYER STACK PPG INDUSTRIES OHIO, INC. (US) 2010-02-04 WO claimed
WO-2023018373-A2 NANOFIBERS AND METHODS OF FORMING NANOFIBERS THEREOF NATIONAL UNIVERSITY OF SINGAPORE (SG) 2023-02-16 WO disclosed
WO-2021231096-A1 USE OF ALKANOLAMINES FOR LIGNIN EXTRACTION IN THE PRETREATMENT OF BIOMASS National Technology and Engineering Solutions of Sandia, LLC (US) 2021-11-18 WO disclosed
EP-3679013-A1 METHOD FOR PRODUCING ISOCYANATES Covestro Deutschland AG (DE) 2020-07-15 EP disclosed
EP-3615503-A1 METHODS OF MAKING ACRYLIC ACID FROM LACTIC ACID OR ITS DERIVATIVES IN LIQUID PHASE The Procter and Gamble Company (US) 2020-03-04 EP disclosed
WO-2007038363-A2 UTILIZING IONIC LIQUIDS FOR HYDROFLUOROCARBON SEPARATION E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-04-05 WO disclosed
WO-2006134015-A1 NOVEL WORKING MEDIA FOR REFRIGERATION PROCESSES EVONIK DEGUSSA GMBH (DE) 2006-12-21 WO disclosed
WO-2006110450-A9 FLUID STORAGE AND PURIFICATION METHOD AND SYSTEM MATHESON TRI GAS (US) 2006-11-23 WO disclosed
WO-2006110450-A1 FLUID STORAGE AND PURIFICATION METHOD AND SYSTEM MATHESON TRI-GAS (US) 2006-10-19 WO disclosed