Methyl Isobutyl Ketone

Methyl Isobutyl Ketone

SCHEMBL306141

CC(=O)CC(C)C.CCC(C)=O

nearest known ligand 0.82

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.82
TDP1 Q9NUW8 3/20 0.82
CA2 P00918 1/20 0.43
FFAR3 O14843 1/20 0.35
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TRPA1 O75762 1/20 0.33

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
Methyl Isobutyl Ketone SCHEMBL2240499 0.97 ALDH1A1 (0.78) ALDH1A1TDP1CA2FFAR3CYP2C19
Methyl Isobutyl Ketone SCHEMBL1128055 0.91 ALDH1A1 (1.00) ALDH1A1TDP1CA2CYP2C19SMN1; SMN2
Methyl Isobutyl Ketone SCHEMBL15458 0.91
Methyl Isobutyl Ketone SCHEMBL1580340 0.91
Methyl Isobutyl Ketone SCHEMBL15772913 0.89 ALDH1A1 (0.74) ALDH1A1TDP1CA2FFAR3CYP2C19
Methyl Isobutyl Ketone SCHEMBL691876 0.89 TDP1 (0.74) ALDH1A1TDP1CA2FFAR3CYP2C19
Methyl Isobutyl Ketone SCHEMBL104272 0.88 ALDH1A1 (0.82) ALDH1A1TDP1CA2CYP2C19SMN1; SMN2
Methyl Isobutyl Ketone SCHEMBL9056069 0.88 ALDH1A1 (0.82) ALDH1A1TDP1CA2CYP2C19SMN1; SMN2
Methyl Isobutyl Ketone SCHEMBL6387945 0.88
Methyl Isobutyl Ketone SCHEMBL809423 0.88

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
US-20200148633-A1 METHOD FOR PREPARING HYDROGEN BIS(FLUOROSULFONYL)IMIDE AND METHOD FOR PREPARING LITHIUM BIS(FLUOROSULFONYL)IMIDE Jiujiang Tinci Advanced Materials Co., Ltd. (CN) 2020-05-14 US claimed
CN-104220414-B Hydrocarboxylation of formaldehyde in the presence of higher carboxylic acids and heterogeneous catalysts 伊士曼化工公司 2016-09-21 CN claimed
CN-105296003-A Solvent deoiling raw material hydrorefining method SHAANXI SHENGHUIYUAN INFORMATION SCIENCE & TECHNOLOGY CO LTD 2016-02-03 CN claimed
US-8790545-B2 Composition for liquid crystal film, liquid crystal film using composition, and method of manufacturing liquid crystal film LG CHEM, LTD. (KR) 2014-07-29 US claimed
CN-102453548-B Solvent dewaxing method by use of dewaxing assistant CHINA PETROLEUM & CHEMICAL 2014-07-23 CN claimed
EP-2585048-A1 COMPOSITIONS OF 5-ETHYL-2-{4-[4-(4-TETRAZOL-1-YL-PHENOXYMETHYL)-THIAZOL-2-YL]-PIPERIDIN-1-YL}-PYRIMIDINE Metabolex Inc. (US) 2013-05-01 EP claimed
US-20130053468-A1 COMPOSITION FOR LIQUID CRYSTAL FILM, LIQUID CRYSTAL FILM USING COMPOSITION, AND METHOD OF MANFACTURING LIQUID CRYSTAL FILM LG CHEM, LTD. (KR) 2013-02-28 US claimed
US-8318043-B2 Composition for liquid crystal film, liquid crystal film using composition, and method of manufacturing liquid crystal film LG CHEM, LTD. (KR) 2012-11-27 US claimed
WO-2011163090-A1 COMPOSITIONS OF 5-ETHYL-2-{4-[4-(4-TETRAZOL-1-YL-PHENOXYMETHYL)-THIAZOL-2-YL]-PIPERIDIN-1-YL}-PYRIMIDINE METABOLEX, INC. (US) 2011-12-29 WO claimed
US-20110080552-A1 Composition for liquid crystal film, liquid crystal film using composition, and method of manufacturing liquid crystal film LG CHEM, LTD. (KR) 2011-04-07 US claimed
CN-1144864-C Production process of high-smelting point petroleum wax 中国石油化工股份有限公司 2004-04-07 CN claimed
CN-1335372-A Production process of high-smelting point petroleum wax CHINA PETROCHEMICAL CORP LTD (CN) 2002-02-13 CN claimed
EP-0255303-B1 NEGATIVE RESIST MATERIAL, METHOD FOR ITS MANUFACTURE AND METHOD FOR USING IT Oki Electric Industry Company, Limited (JP) 1989-10-11 EP claimed
JP-4044038-A None JP disclosed
CN-117957494-A Resin composition, light-shielding film, and substrate with partition wall 东丽株式会社 2024-04-30 CN disclosed
US-11827738-B2 Thiol-ene-curing compositions MOMENTIVE PERFORMANCE MATERIALS GMBH (DE) 2023-11-28 US disclosed
US-3940414-A FUNGICIDE, PLANT GROWTH REGULATOR BAYER AKTIENGESELLSCHAFT (DT) 1976-02-24 US disclosed
US-3934026-A Combating nematodes with alkanesulfonic acid 2-bromoethyl esters BAYER AKTIENGESELLSCHAFT (DT) 1976-01-20 US disclosed
US-3931231-A FUNGICIDE, BACTERICIDE BAYER AKTIENGESELLSCHAFT (DT) 1976-01-06 US disclosed
US-3931317-A FUNGICIDE BAYER AKTIENGESELLSCHAFT (DT) 1976-01-06 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-20200148633-A1 METHOD FOR PREPARING HYDROGEN BIS(FLUOROSULFONYL)IMIDE AND METHOD FOR PREPARING LITHIUM BIS(FLUOROSULFONYL)IMIDE FHIT, LIFR, FLI1 ALDH1A1 3296/4885TDP1 2158/4885CA2 1867/4885

“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.