SCHEMBL1742196

SCHEMBL1742196

Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1.OCC(CO)(CO)CO

nearest known ligand 0.47

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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
ALDH1A1 P00352 7/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GAA P10253 1/20 0.46
SNCA P37840 1/20 0.45
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CYP2C9 P11712 2/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44

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
SCHEMBL28515765 1.00 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2LMNAKDM4EMAPT
SCHEMBL28522161 1.00 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2LMNAKDM4EMAPT
SCHEMBL2512720 1.00 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2LMNAKDM4EMAPT
SCHEMBL2058122 0.91 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2LMNAKDM4EMAPT
SCHEMBL4344271 0.91 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2LMNAKDM4EMAPT
SCHEMBL4333669 0.91 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2LMNAKDM4EMAPT
Trifluoroethanol SCHEMBL7905832 0.88 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2LMNAKDM4EMAPT
SCHEMBL9536811 0.88 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2LMNAKDM4EMAPT
SCHEMBL2057213 0.86 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2LMNAKDM4EMAPT
SCHEMBL28520088 0.86 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2LMNAKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3257921-B1 LUBRICATING OIL ADDITIVES INFINEUM INT LTD (GB) 2021-04-28 EP disclosed
CN-112334509-A Transesterification process for the simultaneous production of at least two different types of polycarbonate in a production plant 科思创知识产权两合公司 2021-02-05 CN disclosed
CN-107502410-B Lubricating oil additive 英菲诺姆国际有限公司 2021-01-08 CN disclosed
US-10407639-B2 Lubricating oil additives InFineon International Ltd. (GB) 2019-09-10 US disclosed
EP-2387735-B1 NONPOLYMERIC BINDERS FOR SEMICONDUCTOR SUBSTRATE COATINGS FUJIFILM ELECTRONIC MAT USA INC (US) 2019-03-13 EP disclosed
EP-3257921-A1 LUBRICATING OIL ADDITIVES Infineum International Limited (GB) 2017-12-20 EP disclosed
US-20170355925-A1 LUBRICATING OIL ADDITIVES INFINEUM INTERNATIONAL LIMITED (GB) 2017-12-14 US disclosed
US-9065146-B2 Nonaqueous electrolyte and lithium secondary battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2015-06-23 US disclosed
CN-104311496-A Pentaerythritol tetra(triazole) compound and its preparation method and use UNIV TIANJIN NORMAL 2015-01-28 CN disclosed
US-8551662-B2 Nonaqueous electrolyte and lithium secondary battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2013-10-08 US disclosed
US-20110229771-A1 NONAQUEOUS ELECTROLYTE AND LITHIUM SECONDARY BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2011-09-22 US disclosed
US-7981553-B2 Nonaqueous electrolyte and lithium secondary battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2011-07-19 US disclosed
US-20110159380-A1 NONAQUEOUS ELECTROLYTE AND LITHIUM SECONDARY BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2011-06-30 US disclosed
US-20100227226-A1 NONAQUEOUS ELECTROLYTE AND LITHIUM SECONDARY BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2010-09-09 US disclosed
WO-2010083350-A1 NONPOLYMERIC BINDERS FOR SEMICONDUCTOR SUBSTRATE COATINGS FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. (US) 2010-07-22 WO disclosed
US-20100021823-A1 NONAQUEOUS ELECTROLYTE AND LITHIUM SECONDARY BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2010-01-28 US disclosed
US-7575833-B2 Nonaqueous electrolyte and lithium secondary battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2009-08-18 US disclosed
US-20070238025-A1 NONAQUEOUS ELECTROLYTE AND LITHIUM SECONDARY BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2007-10-11 US disclosed
US-7223502-B2 Nonaqueous electrolyte and lithium secondary battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2007-05-29 US disclosed
US-20050118512-A1 Nonaqueous electrolyte and lithium secondary battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2005-06-02 US disclosed