Malonic Acid Diethyl Ester

Malonic Acid Diethyl Ester

SCHEMBL1127444

CCOC(=O)CC(=O)OCC.[NaH]

nearest known ligand 0.94

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.94
MGAM O43451 1/20 0.94
SI P14410 1/20 0.94
MGAM2 Q2M2H8 1/20 0.94
ALDH1A1 P00352 4/20 0.57
TRPA1 O75762 1/20 0.57
LMNA P02545 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CYP1A2 P05177 1/20 0.48
ALOX15 P16050 2/20 0.48
SOAT1 P35610 1/20 0.48
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
Malonic Acid Diethyl Ester SCHEMBL27659809 1.00 GAA (0.94) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL28284543 0.97 GAA (0.88) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL1331187 0.97 GAA (1.00) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL1331824 0.97 GAA (1.00) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL1864301 0.97 GAA (1.00) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL1330550 0.97 GAA (1.00) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL8636 0.97 GAA (1.00) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL15388355 0.94 GAA (0.83) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL8417856 0.94 GAA (0.94) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL10896529 0.94 GAA (0.94) GAAMGAMSIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117624583-B Preparation method of Z-type perfluoropolyether anti-fingerprint agent 禾信天成科技(天津)有限公司 2024-03-29 CN claimed
CN-115010633-A Synthetic method and device of ring closing object 宁夏汉润生物科技有限公司 2022-09-06 CN claimed
CN-104817476-B Method for preparing unnatural amino acid 重庆医科大学 2020-09-11 CN claimed
CN-107118088-A A kind of preparation method of m-hydroxy acetophenone 合肥利夫生物科技有限公司 2017-09-01 CN claimed
CN-105646217-A Preparation method of diethyl n-butylmalonate 潍坊晶润化工有限公司 2016-06-08 CN claimed
CN-104817476-A Preparation method for unnatural amino acids UNIV CHONGQING MEDICAL 2015-08-05 CN claimed
CN-101550137-A Method for synthesizing famciclovir YANG PENG (CN) 2009-10-07 CN claimed
CN-100513390-C Preparation method for isotopic element 15N marked L- aminothiopropionic acid SHANGHAI RES INST CHEMICAL IND (CN) 2009-07-15 CN claimed
CN-101041630-A Preparation method for isotopic element 15N marked L- aminothiopropionic acid SHANGHAI CHEMICAL ACADEMY (CN) 2007-09-26 CN claimed
EP-0094776-B1 NOVEL PROCESS FOR THE PREPARATION OF BIOTIN PFIZER INC. (US) 1988-06-22 EP claimed
US-4581459-A Process for the preparation of biotin PFIZER INC. (US) 1986-04-08 US claimed
EP-0094776-A2 Novel process for the preparation of biotin PFIZER INC. (US) 1983-11-23 EP claimed
CN-115010633-B Synthesis method and device of ring-closing compound 宁夏汉润生物科技有限公司 2024-04-12 CN disclosed
CN-115010633-B Synthesis method and device of ring-closing compound 宁夏汉润生物科技有限公司 2024-04-12 CN disclosed
CN-117624583-B Preparation method of Z-type perfluoropolyether anti-fingerprint agent 禾信天成科技(天津)有限公司 2024-03-29 CN disclosed
CN-117624583-A Preparation method of Z-type perfluoropolyether anti-fingerprint agent 禾信天成科技(天津)有限公司 2024-03-01 CN disclosed
US-4037037-A STABLE ENOLATE YEDA RESEARCH & DEVELOPMENT CO. LTD. (IL) 1977-07-19 US disclosed
US-4020098-A Process for the preparation of 5-substituted resorcinols and related intermediates CIBA-GEIGY CORPORATION (US) 1977-04-26 US disclosed
US-4013714-A SUBSTITUTED BIS-(DICARBOXYMETHYL)-ETHERS MONSANTO COMPANY (US) 1977-03-22 US disclosed
US-3994688-A REACTING L-LYSINE WITH A G-FORMYL-PYRIDINE DERIVATIVE A/S N. FOSS ELECTRIC (DK) 1976-11-30 US disclosed