Methyl Isobutyl Ketone

Methyl Isobutyl Ketone

SCHEMBL9045794

CC(=O)CC(C)C.CCCCCC(C)=O

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
TDP1 Q9NUW8 3/20 0.61
CES2 O00748 4/20 0.46
CES1 P23141 4/20 0.46
AKR1B1 P15121 1/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
FAAH O00519 1/20 0.44
MAPK1 P28482 1/20 0.44
PPARG P37231 6/20 0.43
PPARD Q03181 6/20 0.43
PPARA Q07869 6/20 0.43
GPR84 Q9NQS5 5/20 0.43
HDAC11 Q96DB2 5/20 0.43
TSHR P16473 4/20 0.43
TLR2 O60603 2/20 0.43
FABP4 P15090 2/20 0.43
PTPN1 P18031 2/20 0.43
SLC22A6 Q4U2R8 1/20 0.43

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
2-Decanone SCHEMBL10511757 0.98 ALDH1A1 (0.58) ALDH1A1TDP1CES2CES1LMNA
Methyl Isobutyl Ketone SCHEMBL28071916 0.94 ALDH1A1 (0.54) ALDH1A1TDP1CES2CES1AKR1B1
Methyl Isobutyl Ketone SCHEMBL4213188 0.93 ALDH1A1 (0.64) ALDH1A1TDP1CES2CES1LMNA
Methyl Isobutyl Ketone SCHEMBL2340589 0.91 ALDH1A1 (0.74) ALDH1A1TDP1CES2CES1AKR1B1
Methyl Isobutyl Ketone SCHEMBL5000849 0.91 ALDH1A1 (0.74) ALDH1A1TDP1CES2CES1AKR1B1
SCHEMBL27911528 0.89 ALDH1A1 (0.46) ALDH1A1TDP1CES2CES1AKR1B1
Methyl Isobutyl Ketone SCHEMBL28180590 0.89 ALDH1A1 (0.58) ALDH1A1TDP1CES2CES1AKR1B1
Dodecane SCHEMBL28230254 0.89 ALDH1A1 (0.70) ALDH1A1TDP1CES2CES1LMNA
Methyl Isobutyl Ketone SCHEMBL4469718 0.89 ALDH1A1 (0.70) ALDH1A1TDP1CES2CES1LMNA
Methyl Nonyl Ketone SCHEMBL9717380 0.88 KMT2A (0.50) ALDH1A1TDP1CES2CES1LMNA

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113788754-B Preparation method of bifenthrin 北京怡力生物科技有限公司 2023-10-24 CN claimed
CN-113788754-A Preparation method of bifenthrin 北京怡力生物科技有限公司 2021-12-14 CN claimed
CN-105001158-A Cloquitocet-mexyl synthesizing method BEIJING NUTRICHEM CO LTD 2015-10-28 CN claimed
CN-113788754-B Preparation method of bifenthrin 北京怡力生物科技有限公司 2023-10-24 CN disclosed
WO-2023132373-A1 AQUEOUS DISPERSION, COATING COMPOSITION, COATING FILM AND COATED ARTICLE ダイキン工業株式会社 2023-07-13 WO disclosed
CN-113788754-A Preparation method of bifenthrin 北京怡力生物科技有限公司 2021-12-14 CN disclosed
CN-111295424-A Aqueous coating composition and process for forming multi-component composite coatings on substrates PPG工业俄亥俄公司 2020-06-16 CN disclosed
US-20170285482-A1 ORGANIC PROCESSING LIQUID AND PATTERN FORMING METHOD FUJIFILM CORPORATION (JP) 2017-10-05 US disclosed
CN-105001158-A Cloquitocet-mexyl synthesizing method BEIJING NUTRICHEM CO LTD 2015-10-28 CN disclosed
EP-0550744-B1 A PROCESS FOR THE PREPARATION OF AN AMINE MODIFIED COPOLYMER AS A PIGMENT DISPERSANT FOR CATHODIC ELECTROCOATING COMPOSITIONS BASF CORP (US) 1996-01-10 EP disclosed
EP-0661319-A1 Improved high solids coatings suitable for ambient cure BASF CORPORATION (US) 1995-07-05 EP disclosed
EP-0550744-A4 A PROCESS FOR THE PREPARATION OF AN AMINE MODIFIED COPOLYMER AS A PIGMENT DISPERSANT FOR CATHODIC ELECTROCOATING COMPOSITIONS 1993-11-10 EP disclosed
US-5231134-A Addition polymerization BASF CORPORATION (US) 1993-07-27 US disclosed
EP-0550744-A1 A PROCESS FOR THE PREPARATION OF AN AMINE MODIFIED COPOLYMER AS A PIGMENT DISPERSANT FOR CATHODIC ELECTROCOATING COMPOSITIONS. BASF CORP (US) 1993-07-14 EP disclosed
WO-1993003070-A1 A PROCESS FOR THE PREPARATION OF AN AMINE MODIFIED COPOLYMER AS A PIGMENT DISPERSANT FOR CATHODIC ELECTROCOATING COMPOSITIONS BASF CORPORATION (US) 1993-02-18 WO disclosed
WO-1991011477-A1 PROCESS FOR PRODUCING POLYURETHANE DISPERSIONS BOLLIG & KEMPER KG (DE) 1991-08-08 WO disclosed