Malonic Acid Diethyl Ester

Malonic Acid Diethyl Ester

SCHEMBL3823348

CC(N)=O.CCOC(=O)CC(=O)OCC

nearest known ligand 0.79

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.79
MGAM O43451 1/20 0.79
SI P14410 1/20 0.79
MGAM2 Q2M2H8 1/20 0.79
ALOX15 P16050 3/20 0.55
ALDH1A1 P00352 5/20 0.50
LMNA P02545 2/20 0.50
HSD17B10 Q99714 1/20 0.50
TRPA1 O75762 1/20 0.50
CYP1A2 P05177 1/20 0.48
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
SOAT1 P35610 1/20 0.42
PKM P14618 1/20 0.41
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 1/20 0.39

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
Acetamide SCHEMBL6157602 0.90 GAA (0.64) GAAMGAMSIMGAM2ALOX15
Malonic Acid Diethyl Ester SCHEMBL27943809 0.89 GAA (0.88) GAAMGAMSIMGAM2ALOX15
Malonic Acid Diethyl Ester SCHEMBL1330550 0.89 GAA (1.00) GAAMGAMSIMGAM2ALOX15
Malonic Acid Diethyl Ester SCHEMBL8636 0.89 GAA (1.00) GAAMGAMSIMGAM2ALOX15
Malonic Acid Diethyl Ester SCHEMBL1331824 0.89 GAA (1.00) GAAMGAMSIMGAM2ALOX15
Malonic Acid Diethyl Ester SCHEMBL1331187 0.89 GAA (1.00) GAAMGAMSIMGAM2ALOX15
Malonic Acid Diethyl Ester SCHEMBL1864301 0.89 GAA (1.00) GAAMGAMSIMGAM2ALOX15
Acetamide SCHEMBL27868109 0.88 GAA (0.61) GAAMGAMSIMGAM2ALOX15
SCHEMBL27996403 0.87
Malonic Acid Diethyl Ester SCHEMBL29008218 0.86 GAA (0.83) GAAMGAMSIMGAM2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101444496-A Compounds for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORP (US) 2009-06-03 CN claimed
CN-1608055-A Compounds for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORP (US) 2005-04-20 CN claimed
CN-111433577-A Temperature detection label and article management device using same 株式会社日立制作所 2020-07-17 CN disclosed
CN-111057001-A Preparation method of quinolone malonate compound 巨化集团公司制药厂 2020-04-24 CN disclosed
CN-110114647-A Temperature detection material, temperature detection ink using same, temperature indicator, method for manufacturing temperature detection material, and article management system 株式会社日立产机系统 2019-08-09 CN disclosed
WO-2019142480-A1 TEMPERATURE DETECTION INK, TEMPERATURE DETECTION INK INITIALIZATION METHOD, TEMPERATURE INDICATOR, AND ARTICLE MANAGEMENT SYSTEM 株式会社日立製作所 2019-07-25 WO disclosed
WO-2019142485-A1 TEMPERATURE DETECTION LABEL AND ARTICLE MANAGEMENT DEVICE USING SAME 株式会社日立製作所 2019-07-25 WO disclosed
CN-101346346-B Amine compound and use thereof for medical purposes MITSUBISH TANABE PHARMA CORP 2012-08-22 CN disclosed
CN-100537541-C Improved process for preparing rebamipide OTSUKA PHARMA CO LTD (JP) 2009-09-09 CN disclosed
EP-2096111-A1 PYRAZOLES AND USE THEREOF AS DRUGS Japan Tobacco Inc. (JP) 2009-09-02 EP disclosed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 US disclosed
CN-1177861-C Macrocyclic Peptides Effective Against Hepatitis C Virus ���ָ����Ӣ��ķ���ô����޹�˾ 2004-12-01 CN disclosed
EP-0989113-B1 A PROCESS FOR PREPARING 2-AMINOMALONIC ACID DERIVATIVES TAITO CO (JP) 2004-11-10 EP disclosed
CN-1480450-A 2-aminopropane-1,3-glycol compound, its use as medicine and its synthetic intermediate ������ҩ��ʽ���� 2004-03-10 CN disclosed
CN-1137086-C 2-aminopropane-1, 3-diol compound, use thereof as medicine and synthetic intermediate thereof ������ҩ��ʽ���� 2004-02-04 CN disclosed
CN-1346365-A Macrocyclic Peptides Effective Against Hepatitis C Virus BOEHRINGER INGELHEIM CA LTD (CA) 2002-04-24 CN disclosed
US-6284915-B2 Process for preparing 2-amino malonic acid derivatives and 2-amino-1,3-propanediol derivatives, and intermediates for preparing the same TAITO CO., LTD (JP) 2001-09-04 US disclosed
US-20010008945-A1 PROCESS FOR PREPARING 2-AMINO MALONIC ACID DERIVATIVES AND 2-AMINO-1,3 - PROPANEDIOL DERIVATIVES, AND INTERMEDIATES FOR PREPARING THE SAME MITSUBISHI PHARMA CORPORATION (JP) 2001-07-19 US disclosed
CN-1259117-A 2-aminopropane-1, 3-diol compound, use thereof as medicine and synthetic intermediate thereof YOSHITOMI PHARMACEUTICAL (JP) 2000-07-05 CN disclosed
EP-0989113-A1 PROCESSES FOR PRODUCING 2-AMINOMALONIC ACID DERIVATIVES AND 2-AMINO-1,3-PROPANEDIOL DERIVATIVES, AND INTERMEDIATES FOR PRODUCING THE DERIVATIVES TAITO CO., LTD. (JP) 2000-03-29 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20010008945-A1 PROCESS FOR PREPARING 2-AMINO MALONIC ACID DERIVATIVES AND 2-AMINO-1,3 - PROPANEDIOL DERIVATIVES, AND INTERMEDIATES FOR PREPARING THE SAME BCAT2, BCAT1, BCKDK GAA 1782/4885MGAM 346/4885SI 894/4885
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF PYGL, GYS2, G6PC1 GAA 81/4885MGAM 48/4885SI 32/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.