SCHEMBL2397840

SCHEMBL2397840

CC(=O)OCC(=O)OC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.47
TSHR P16473 2/20 0.47
HSD17B10 Q99714 3/20 0.46
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
CHRM5 P08912 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
PGR P06401 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
HTR1A P08908 1/20 0.37
CHRNB2 P17787 1/20 0.37
TBXA2R P21731 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
CHRNA10 Q9GZZ6 1/20 0.37

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
SCHEMBL22558178 0.97 ALDH1A1 (0.45) ALDH1A1TSHRHSD17B10LMNATDP1
SCHEMBL8742043 0.97 ALDH1A1 (0.45) ALDH1A1TSHRHSD17B10LMNATDP1
SCHEMBL27556512 0.95 ALDH1A1 (0.43) ALDH1A1TSHRHSD17B10LMNATDP1
SCHEMBL27241877 0.95 ALDH1A1 (0.43) ALDH1A1TSHRHSD17B10LMNATDP1
SCHEMBL8669971 0.95 ALDH1A1 (0.43) ALDH1A1TSHRHSD17B10LMNATDP1
SCHEMBL27599358 0.93 ALDH1A1 (0.41) ALDH1A1TSHRHSD17B10LMNATDP1
Ammonia Solution, Strong SCHEMBL27513968 0.93 ALDH1A1 (0.41) ALDH1A1TSHRHSD17B10LMNATDP1
Ammonia Solution, Strong SCHEMBL27331677 0.93 ALDH1A1 (0.41) ALDH1A1TSHRHSD17B10LMNATDP1
SCHEMBL118942 0.92 ALDH1A1 (0.48) ALDH1A1TSHRHSD17B10LMNATDP1
SCHEMBL27690649 0.86 ALDH1A1 (0.45) ALDH1A1TSHRHSD17B10LMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111777611-B Preparation method of acyclovir intermediate N (2), 9-diacetylguanine 潍坊奥通药业有限公司 2022-11-04 CN claimed
CN-1041306-C Process for preparing a-cyanoacrylate XINAN NORMAL UNIV (CN) 1998-12-23 CN claimed
US-5583117-A CARDIOVASCULAR, NERVOUS SYSTEM DISORDERS; DIABETES PRO-NEURON, INC. (US) 1996-12-10 US claimed
US-4264463-A BY DISSOLVING WITH A SOLUTION CONTAINING ALUMINUM AND/OR FERRIC CATIONS AND ANIONS OF AN ORGANIC OR INORGANIC ACID NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1981-04-28 US claimed
CN-117753235-A Preparation method and application of block polyimide asymmetric membrane 天津理工大学 2024-03-26 CN disclosed
CN-114573450-B Method for preparing acetic acid by catalyzing levulinic acid through MnCeOx 中国科学院大连化学物理研究所 2023-05-30 CN disclosed
CN-110337442-B Novel glucose derivatives as inhibitors of sodium-dependent glucose transporter type 2 东亚ST株式会社 2023-05-12 CN disclosed
CN-113135874-B Synthetic method of roxatidine acetate 福建海西新药创制有限公司 2022-11-04 CN disclosed
CN-111777611-B Preparation method of acyclovir intermediate N (2), 9-diacetylguanine 潍坊奥通药业有限公司 2022-11-04 CN disclosed
CN-111777611-B Preparation method of acyclovir intermediate N (2), 9-diacetylguanine 潍坊奥通药业有限公司 2022-11-04 CN disclosed
CN-109553604-B 4-aminopyrimidine derivatives as CXCR4 inhibitors and uses thereof 盛世泰科生物医药技术(苏州)有限公司 2021-08-27 CN disclosed
CN-113135874-A Synthetic method of roxatidine acetate 福建海西新药创制有限公司 2021-07-20 CN disclosed
US-4578478-A Thiazole derivatives and procedure of synthesis thereof KOTOBUKI SEIYAKU COMPANY LIMITED (JP) 1986-03-25 US disclosed
US-4532294-A Contacting mixture of hydroxyalkyl acrylate, other acrylates in presence of free radical initiator, liquid ester solvent EXXON RESEARCH & ENGINEERING CO. (US) 1985-07-30 US disclosed
EP-0114657-A1 Process for production of hydroxycarboxylic acids MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1984-08-01 EP disclosed
US-4405717-A REACTING CALCIUM ACETATE WITH TERTIARY AMINE CARBONATE PRODUCING TRIALKYLAMMONIUM ACETATE, THEN HEATING CPC INTERNATIONAL INC. (US) 1983-09-20 US disclosed
US-4063011-A COPOLYMER HERCULES INCORPORATED (US) 1977-12-13 US disclosed
US-4012389-A ANTICOAGULANTS DONAU-PHARMAZIE GESELLSCHAFT M.B.H. (OE) 1977-03-15 US disclosed
US-3956250-A SOLUTION COPOLYMERIZATION, ACID CLAY CATALYST HERCULES INCORPORATED (US) 1976-05-11 US disclosed
US-3935214-A ANTICOAGULANT DONAU-PHARMAZIE GESELLSCHAFT M.B.H. (OE) 1976-01-27 US disclosed