SCHEMBL2289694

SCHEMBL2289694

O=C(O)CC(O)(CC(=O)OC(CC(=O)O)(CC(=O)O)C(=O)O)C(=O)O.[NaH].[NaH].[NaH]

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
KDM4E B2RXH2 4/20 0.33
LMNA P02545 3/20 0.33
TSHR P16473 2/20 0.33
MAPT P10636 2/20 0.33
ALOX15 P16050 1/20 0.33
SLC13A5 Q86YT5 7/20 0.33
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
CYP2D6 P10635 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 1/20 0.32
ACLY P53396 3/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
CPT2 P23786 1/20 0.31

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
SCHEMBL1578237 1.00 ALDH1A1 (0.58) ALDH1A1KDM4ELMNATSHRMAPT
SCHEMBL2235360 1.00 ALDH1A1 (0.58) ALDH1A1KDM4ELMNATSHRMAPT
SCHEMBL1173001 1.00 ALDH1A1 (0.58) ALDH1A1KDM4ELMNATSHRMAPT
Hydrogen Peroxide SCHEMBL29082273 1.00 ALDH1A1 (0.58) ALDH1A1KDM4ELMNATSHRMAPT
SCHEMBL4975232 1.00 ALDH1A1 (0.58) ALDH1A1KDM4ELMNATSHRMAPT
SCHEMBL9125731 0.98 ALDH1A1 (0.56) ALDH1A1KDM4ELMNATSHRMAPT
Water SCHEMBL8440717 0.98 ALDH1A1 (0.56) ALDH1A1KDM4ELMNATSHRMAPT
Water SCHEMBL789158 0.98 ALDH1A1 (0.56) ALDH1A1KDM4ELMNATSHRMAPT
SCHEMBL11060181 0.98 ALDH1A1 (0.56) ALDH1A1KDM4ELMNATSHRMAPT
SCHEMBL10561448 0.98 ALDH1A1 (0.56) ALDH1A1KDM4ELMNATSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116148398-B Method for detecting trace chemical hazard in fat-rich food 北京市疾病预防控制中心 2023-09-05 CN claimed
CN-116148398-A Method for detecting trace chemical hazard in fat-rich food 北京市疾病预防控制中心 2023-05-23 CN claimed
CN-115128195-B LC-MS/MS detection method for pesticide and veterinary drug residues in animal oil and vegetable oil 北京市疾病预防控制中心 2022-11-15 CN claimed
CN-115128195-A LC-MS/MS detection method for pesticide and veterinary drug residues in animal oil and vegetable oil 北京市疾病预防控制中心 2022-09-30 CN claimed
CN-104027351-A Oral composition of supplement XIAO YUNCAI 2014-09-10 CN claimed
CN-101708460-A Method for preparing starch-based adsorption carrier material UNIV SOUTH CHINA TECH 2010-05-19 CN claimed
US-5643675-A MIXTURES OF THERMOSETTING RESIN, LATENT ACID CATALYST AND ALKALI METAL SALT OF POLYBASIC ACID(AS LIFE EXTENDER), FOR MAKING FOUNDRY CORES OR MOLDS WITH SAND BORDEN, INC. (US) 1997-07-01 US claimed
CN-114216892-B Method for rapidly and accurately detecting zearalenone toxin in grains based on SERS 厦门大学 2024-02-06 CN disclosed
CN-116148398-B Method for detecting trace chemical hazard in fat-rich food 北京市疾病预防控制中心 2023-09-05 CN disclosed
CN-116148398-A Method for detecting trace chemical hazard in fat-rich food 北京市疾病预防控制中心 2023-05-23 CN disclosed
WO-2022255840-A1 METHOD FOR ISOLATING EXTRACELLULAR VESICLE USING SALT FRACTIONAL PRECIPITATION 기초과학연구원 2022-12-08 WO disclosed
CN-115128195-B LC-MS/MS detection method for pesticide and veterinary drug residues in animal oil and vegetable oil 北京市疾病预防控制中心 2022-11-15 CN disclosed
CN-115128195-A LC-MS/MS detection method for pesticide and veterinary drug residues in animal oil and vegetable oil 北京市疾病预防控制中心 2022-09-30 CN disclosed
US-20030158375-A1 G-CSF polypeptides and conjugates MAXYGEN HOLDINGS, LTD. 2003-08-21 US disclosed
EP-1196530-A1 DETERGENT COMPOSITIONS COMPRISING A RAW STARCH DEGRADING ENZYME THE PROCTER & GAMBLE COMPANY (US) 2002-04-17 EP disclosed
EP-1141199-A1 DETERGENT COMPOSITIONS COMPRISING A PECTATE LYASE AND A SPECIFIC SURFACTANT SYSTEM THE PROCTER & GAMBLE COMPANY (US) 2001-10-10 EP disclosed
WO-2001002529-A1 DETERGENT COMPOSITIONS COMPRISING A RAW STARCH DEGRADING ENZYME THE PROCTER & GAMBLE COMPANY (US) 2001-01-11 WO disclosed
WO-2000042155-A1 DETERGENT COMPOSITIONS COMPRISING A PECTATE LYASE AND A SPECIFIC SURFACTANT SYSTEM THE PROCTER & GAMBLE COMPANY (US) 2000-07-20 WO disclosed
US-4820870-A FOR REMOVAL AND/OR PREVENTION OF URINARY TRACT STONES; SODIUM-POTASSIUM-HYDROGEN SALTS OF CITRIC ACID DR. MADAUS & CO. (DE) 1989-04-11 US disclosed
US-4400535-A ADDING AN ALKALI CARBONATE TO A BOILING WATER SOLUTION OF A TRIALKALI CITRATE AND CITRIC ACID; COMPLEXING DR. MADAUS & CO. (DE) 1983-08-23 US disclosed