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Malonic Acid Diethyl Ester

Malonic Acid Diethyl Ester

SCHEMBL8417856

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

nearest known ligand 0.94

Full drug profile on Sugi Atlas →

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 SCHEMBL8636 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 SCHEMBL1331187 0.97 GAA (1.00) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL1331824 0.97 GAA (1.00) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL10826502 0.94 GAA (0.83) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL11027431 0.94 GAA (0.94) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL3670061 0.94 GAA (0.94) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL4334303 0.94 GAA (0.94) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL1127444 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 68 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105705488-A Acetylcholinesterase inhibitor compounds and 5HT4 serotonergic receptor agonisis, with promnesia effect, methods for the preparation thereof and pharmaceutical compositions containing same 卡昂大学 2016-06-22 — — CN claimed
US-9056848-B2 Process for preparing sodium salts or potassium salts of 4-hydroxy-2-oxo-2,5-dihydrofuran-3-carboxylate BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-16 — — US claimed
EP-2681202-B1 PROCESS FOR PREPARING SODIUM SALTS OR POTASSIUM SALTS OF 4-HYDROXY-2-OXO-2,5-DIHYDROFURAN-3-CARBOXYLATE BAYER IP GMBH (DE) 2014-10-22 — — EP claimed
US-20140148604-A1 PROCESS FOR PREPARING SODIUM SALTS OR POTASSIUM SALTS OF 4-HYDROXY-2-OXO-2,5-DIHYDROFURAN-3-CARBOXYLATE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-29 — — US claimed
CN-109867679-B Preparation method of piricaconide hydrochloride intermediate 杭州瀚康生物医药科技有限公司 2021-11-30 — — CN disclosed
CN-105705488-B Compounds of acetylcholinesterase inhibitors and 5-hydroxytryptamine receptor 4 agonists, process for their preparation and pharmaceutical compositions thereof 卡昂大学 2020-03-24 — — CN disclosed
CN-107250128-B Cyclic amine derivatives and its medical usage 东丽株式会社 2019-07-26 — — CN disclosed
CN-109485609-A A kind of preparation method of urea groups pyrimidone precursor 常州大学 2019-03-19 — — CN disclosed
CN-109311818-A Novel pyridone carboxylic acid derivatives or its salt 湧永制药株式会社 2019-02-05 — — CN disclosed
CN-105121440-B Salt of pyrazoloquinoline derivative and crystal thereof 卫材R&D管理有限公司 2017-05-24 — — CN disclosed
CN-106109479-A Therapeutic Method 葛兰素史克有限责任公司 2016-11-16 — — CN disclosed
CN-103732065-B For treating the benzofuran compound of infection with hepatitis C virus 葛兰素集团有限公司 2016-10-26 — — CN disclosed
US-5872148-A BRONCHODILATOR AGENTS AND ANALGESICS UNIVERSITY OF CONNECTICUT (US) 1999-02-16 — — US disclosed
CN-1193966-A Aromatic compounds and pharmaceutical compositions containing them ZENECA LTD (GB) 1998-09-23 — — CN disclosed
CN-1158120-A Process for the preparation of antimicrobial compounds PROCTER & GAMBLE (US) 1997-08-27 — — CN disclosed
CN-1154106-A Aromatic amino ethers as analgesic agents ZENECA LTD (GB) 1997-07-09 — — CN disclosed
US-5440052-A Compositions useful as a cannabinoid receptor probe UNIVERSITY OF CONNECTICUT (US) 1995-08-08 — — US disclosed
CN-1092064-A Trisubstd phenyl derivs and preparation method thereof CELLTECH LTD (GB) 1994-09-14 — — CN disclosed
US-4598073-A Certain polycyclo-palladium-bipyridine complexes having anti-tumor activity RESEARCH CORPORATION (US) 1986-07-01 — — US disclosed
US-3939166-A INSECTICIDE ELI LILLY AND COMPANY (US) 1976-02-17 — — US 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 (1 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-20140148604-A1 PROCESS FOR PREPARING SODIUM SALTS OR POTASSIUM SALTS OF 4-HYDROXY-2-OXO-2,5-DIHYDROFURAN-3-CARBOXYLATE AKR1C3, AKR1C2, AKR1C1 GAA 2116/4885MGAM 2134/4885SI 193/4885

“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.