SCHEMBL991400

SCHEMBL991400

O=S(=O)(O)c1cc(S(=O)(=O)O)c2ccc3c(S(=O)(=O)O)cc(S(=O)(=O)O)c4ccc1c2c43.[Na]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
ALDH1A1 P00352 5/20 0.41
HSD17B10 Q99714 4/20 0.41
TSHR P16473 4/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
TP53 P04637 2/20 0.41
CYP3A4 P08684 2/20 0.41
MAPT P10636 2/20 0.41
THRB P10828 2/20 0.41
HPGD P15428 2/20 0.41
ALOX15 P16050 2/20 0.41
MAPK1 P28482 2/20 0.41
BRCA1 P38398 2/20 0.41
RECQL P46063 2/20 0.41
BLM P54132 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
APP P05067 1/20 0.41

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
SCHEMBL30496677 1.00 CYP1A2 (0.43) CYP1A2ALDH1A1HSD17B10TSHRKDM4E
SCHEMBL1502346 1.00 CYP1A2 (0.43) CYP1A2ALDH1A1HSD17B10TSHRKDM4E
Water SCHEMBL18585908 0.98 CYP1A2 (0.42) CYP1A2ALDH1A1HSD17B10TSHRKDM4E
SCHEMBL305044 0.97 CYP1A2 (0.44) CYP1A2ALDH1A1HSD17B10TSHRKDM4E
SCHEMBL1502343 0.95 CYP1A2 (0.43) CYP1A2ALDH1A1HSD17B10TSHRKDM4E
SCHEMBL991399 0.95 CYP1A2 (0.43) CYP1A2ALDH1A1HSD17B10TSHRKDM4E
Water SCHEMBL28085462 0.95 CYP1A2 (0.43) CYP1A2ALDH1A1HSD17B10TSHRKDM4E
Hydrochloric Acid SCHEMBL11161632 0.95 CYP1A2 (0.43) CYP1A2ALDH1A1HSD17B10TSHRKDM4E
Water SCHEMBL16593604 0.93 CYP1A2 (0.42) CYP1A2ALDH1A1HSD17B10TSHRKDM4E
SCHEMBL10595679 0.89 MPL (0.47) CYP1A2ALDH1A1HSD17B10TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107879332-B Method for preparing graphene by stripping graphite by time-space synchronous ultrasonic ball milling method 中南民族大学 2020-06-30 CN claimed
CN-105727883-B For adsorbing the functional mesoporous carbon of the sodium sulfonate of organochlorine in animal derived product 甘肃省商业科技研究所有限公司 2018-07-06 CN claimed
CN-104891684-B Without phosphorus composite slow-corrosion scale resistor for bitter recirculated water and preparation method thereof 山东英联化学科技有限公司 2016-11-02 CN claimed
CN-104525109-B Multi-walled carbon nano-tubes functionalization graphene composite and application thereof 甘肃省商业科技研究所有限公司 2016-08-24 CN claimed
CN-104891684-A Phosphorus-free composite corrosion and scale inhibitor for bitter circulating water and preparation method thereof INLEN CHEMISTRY TECHNOLOGY CO LTD 2015-09-09 CN claimed
CN-104525109-A Multi-walled carbon nanotube functionalized graphene composite material and application thereof GANSU INST OF BUSINESS TECHNOLOGY CO LTD 2015-04-22 CN claimed
US-20110020539-A1 PALLADIUM THIOLATE BONDING OF CARBON NANOTUBES PURDUE RESEARCH FOUNDATION (US) 2011-01-27 US claimed
US-7794587-B2 Method to alter coke morphology using metal salts of aromatic sulfonic acids and/or polysulfonic acids EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2010-09-14 US claimed
US-7704376-B2 Fouling inhibition of thermal treatment of heavy oils EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2010-04-27 US claimed
US-7594989-B2 Enhanced thermal upgrading of heavy oil using aromatic polysulfonic acid salts EXXONMOBILE RESEARCH AND ENGINEERING COMPANY (US) 2009-09-29 US claimed
US-20090184029-A1 in a delayed coking process of heavy oil; additives facilitate the formation of shot coke and inhibit the formation of sponge coke; predominantly free-flowing coke to avoid or minimize hot drums EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2009-07-23 US claimed
EP-1742717-A4 SOLID PRODUCT DISSOLVER AND METHOD OF USE THEREOF NALCO CO (US) 2009-03-11 EP claimed
EP-1751256-A1 FOULING INHIBITION OF THERMAL TREATMENT OF HEAVY OILS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2007-02-14 EP claimed
EP-1742717-A2 SOLID PRODUCT DISSOLVER AND METHOD OF USE THEREOF Nalco Company (US) 2007-01-17 EP claimed
WO-2005113726-A1 FOULING INHIBITION OF THERMAL TREATMENT OF HEAVY OILS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2005-12-01 WO claimed
US-20050258070-A1 Fouling inhibition of thermal treatment of heavy oils EXXONMOBIL RESEARCH & ENGINEERING CO. 2005-11-24 US claimed
WO-2005110574-A2 SOLID PRODUCT DISSOLVER AND METHOD OF USE THEREOF NALCO COMPANY (US) 2005-11-24 WO claimed
US-20050258071-A1 Enhanced thermal upgrading of heavy oil using aromatic polysulfonic acid salts EXXONMOBIL RESEARCH & ENGINEERING CO. 2005-11-24 US claimed
US-20050244315-A1 Solid product dissolver and method of use thereof ECOLAB USA INC. 2005-11-03 US claimed
WO-1999051817-A1 USE OF FLUORESCENCE IN PULP OR PAPERMAKING PROCESS CONTROL NALCO CHEMICAL COMPANY (US) 1999-10-14 WO claimed