SCHEMBL991399

SCHEMBL991399

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.43
ALDH1A1 P00352 6/20 0.41
HSD17B10 Q99714 4/20 0.41
CYP2C19 P33261 4/20 0.41
ALOX15 P16050 3/20 0.41
MEN1 O00255 3/20 0.41
MAPT P10636 3/20 0.41
THRB P10828 3/20 0.41
HPGD P15428 3/20 0.41
RECQL P46063 3/20 0.41
BLM P54132 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP2C9 P11712 3/20 0.41
KDM4E B2RXH2 2/20 0.41
TP53 P04637 2/20 0.41
CYP3A4 P08684 2/20 0.41
MAPK1 P28482 2/20 0.41
BRCA1 P38398 2/20 0.41
TSHR P16473 2/20 0.41
APP P05067 2/20 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
SCHEMBL1502343 1.00 CYP1A2 (0.43) CYP1A2ALDH1A1HSD17B10CYP2C19ALOX15
Water SCHEMBL16593604 0.98 CYP1A2 (0.42) CYP1A2ALDH1A1HSD17B10CYP2C19ALOX15
SCHEMBL305044 0.97 CYP1A2 (0.44) CYP1A2ALDH1A1HSD17B10CYP2C19ALOX15
Water SCHEMBL28085462 0.95 CYP1A2 (0.43) CYP1A2ALDH1A1HSD17B10CYP2C19ALOX15
SCHEMBL991400 0.95 CYP1A2 (0.43) CYP1A2ALDH1A1HSD17B10CYP2C19ALOX15
SCHEMBL1502346 0.95 CYP1A2 (0.43) CYP1A2ALDH1A1HSD17B10CYP2C19ALOX15
Hydrochloric Acid SCHEMBL11161632 0.95 CYP1A2 (0.43) CYP1A2ALDH1A1HSD17B10CYP2C19ALOX15
SCHEMBL30496677 0.95 CYP1A2 (0.43) CYP1A2ALDH1A1HSD17B10CYP2C19ALOX15
Water SCHEMBL18585908 0.93 CYP1A2 (0.42) CYP1A2ALDH1A1HSD17B10CYP2C19ALOX15
SCHEMBL590946 0.89 MPL (0.47) CYP1A2ALDH1A1HSD17B10CYP2C19ALOX15

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 40 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
US-20110020539-A1 PALLADIUM THIOLATE BONDING OF CARBON NANOTUBES PURDUE RESEARCH FOUNDATION (US) 2011-01-27 US claimed
CN-1954053-B Fouling inhibition of thermal treatment of heavy oils EXXONMOBIL RES & ENG CO 2010-06-16 CN claimed
EP-1742717-A4 SOLID PRODUCT DISSOLVER AND METHOD OF USE THEREOF NALCO CO (US) 2009-03-11 EP claimed
CN-1954053-A Fouling inhibition of thermal treatment of heavy oils EXXONMOBIL RES & ENG CO (US) 2007-04-25 CN claimed
EP-1742717-A2 SOLID PRODUCT DISSOLVER AND METHOD OF USE THEREOF Nalco Company (US) 2007-01-17 EP claimed
WO-2005110574-A2 SOLID PRODUCT DISSOLVER AND METHOD OF USE THEREOF NALCO COMPANY (US) 2005-11-24 WO claimed
US-20050244315-A1 Solid product dissolver and method of use thereof ECOLAB USA INC. 2005-11-03 US claimed
US-20030183575-A1 METHOD OF MONITORING MEMBRANE SEPARATION PROCESSES ECOLAB USA INC. 2003-10-02 US claimed
WO-1999051817-A1 USE OF FLUORESCENCE IN PULP OR PAPERMAKING PROCESS CONTROL NALCO CHEMICAL COMPANY (US) 1999-10-14 WO claimed
WO-2023043798-A1 SOLID, NON-PHOSPHOROUS, SCALE AND CORROSION INHIBITOR COMPOSITION FOR COOLING WATER TREATMENT ECOLAB USA INC. (US) 2023-03-23 WO disclosed
US-20230087114-A1 SOLID, NON-PHOSPHOROUS, SCALE AND CORROSION INHIBITOR COMPOSITION FOR COOLING WATER TREATMENT ECOLAB USA INC. 2023-03-23 US disclosed
CN-112264103-B Silver-based metal organic framework material and preparation method and application thereof 山东大学 2022-01-25 CN disclosed
CN-110511423-B Method for simultaneously removing imidacloprid and acetamiprid in water-soluble tea extract by double-template surface molecularly imprinted material 江南大学 2021-08-10 CN disclosed
CN-112264103-A Silver-based metal organic framework material and preparation method and application thereof 山东大学 2021-01-26 CN disclosed
WO-1999051817-A1 USE OF FLUORESCENCE IN PULP OR PAPERMAKING PROCESS CONTROL NALCO CHEMICAL COMPANY (US) 1999-10-14 WO disclosed
EP-0893453-A2 Chiral separation of pharmaceutical compounds with charged cyclodextrins using capillary electrophoresis Beckman Coulter, Inc. (US) 1999-01-27 EP disclosed
EP-0667318-B1 Fluorescent tracer in sludge dewatering NALCO CHEMICAL CO (US) 1998-12-02 EP disclosed
EP-0667318-A1 Fluorescent tracer in sludge dewatering NALCO CHEMICAL COMPANY (US) 1995-08-16 EP disclosed
US-5413719-A To determine optimum amount of polyelectrolyte NALCO CHEMICAL COMPANY (US) 1995-05-09 US disclosed