Methyl Isobutyl Ketone

Methyl Isobutyl Ketone

SCHEMBL6253907

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

nearest known ligand 0.82

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.82
TDP1 Q9NUW8 2/20 0.82
CYP2C19 P33261 1/20 0.50
CA2 P00918 1/20 0.43
ACHE P22303 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.33
TRPA1 O75762 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
KISS1R Q969F8 2/20 0.32

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 SCHEMBL15458 0.91
Methyl Isobutyl Ketone SCHEMBL1580340 0.91
Methyl Isobutyl Ketone SCHEMBL1128055 0.91 ALDH1A1 (1.00) ALDH1A1TDP1CYP2C19CA2SMN1; SMN2
Methyl Isobutyl Ketone SCHEMBL7073455 0.88
Methyl Isobutyl Ketone SCHEMBL8421472 0.88
Acetone SCHEMBL10786728 0.88 ALDH1A1 (0.61) ALDH1A1TDP1CYP2C19CA2ACHE
Methyl Isobutyl Ketone SCHEMBL6387945 0.88
Methyl Isobutyl Ketone SCHEMBL2188913 0.88
Methyl Isobutyl Ketone SCHEMBL358566 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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6140412-A Waterproofing agent for ink jet printing paper NICCA CHEMICAL CO., LTD. (JP) 2000-10-31 US claimed
US-5661199-A PREVENTION OF PRELIMINARY CROSSLINKING; STABILIZER FUNCTIONS AS FILM-FORMING AGENT HERBERTS GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-08-26 US claimed
CN-106279691-B Material used in polyimide precursor, polyimides and its preparation 宇部兴产株式会社 2019-11-05 CN disclosed
CN-110105572-A Material used in polyimide precursor, polyimides and its preparation 宇部兴产株式会社 2019-08-09 CN disclosed
CN-106279690-B Material used in polyimide precursor, polyimides and its preparation 宇部兴产株式会社 2019-07-05 CN disclosed
CN-106279689-B Material used in polyimide precursor, polyimides and its preparation 宇部兴产株式会社 2019-05-21 CN disclosed
CN-106279689-A Material used in polyimide precursor, polyimides and preparation thereof 宇部兴产株式会社 2017-01-04 CN disclosed
CN-106279690-A Material used in polyimide precursor, polyimides and preparation thereof 宇部兴产株式会社 2017-01-04 CN disclosed
CN-106279691-A Material used in polyimide precursor, polyimides and preparation thereof 宇部兴产株式会社 2017-01-04 CN disclosed
CN-103228704-B Polyimide precursor, polyimide, and material for use in preparation thereof 宇部兴产株式会社 2016-10-05 CN disclosed
EP-1567708-A1 FABRIC TREATMENT UNILEVER PLC (GB) 2005-08-31 EP disclosed
US-6756420-B2 HIGH-SOLIDS COATING COMPOSITION WHICH COMPRISES (A) A COMPOUND WHICH HAS AT LEAST ONE RADICALLY POLYMERIZABLE UNSATURATED GROUP PER MOLECULE, (B) A HYDROXYL GROUP-CONTAINING ESTER COMPOUND WHICH IS OBTAINED BY ESTER-FORMING ADDITION REACTION KANSAI PAINT CO., LTD. (JP) 2004-06-29 US disclosed
WO-2004050981-A1 FABRIC TREATMENT UNILEVER PLC (GB) 2004-06-17 WO disclosed
US-20030119980-A1 Coating composition and a process to form a coating film with use thereof KANSAI PAINT CO., LTD. (JP) 2003-06-26 US disclosed
US-5155053-A METHOD OF FORMING T-GATE STRUCTURE ON MICROELECTRONIC DEVICE SUBSTRATE HUGHES AIRCRAFT COMPANY (US) 1992-10-13 US disclosed
US-4539348-A Water-swellable crosslinked polymeric microgel particles and aqueous dispersions of organic film-forming resins containing the same CELANESE CORPORATION (US) 1985-09-03 US disclosed
US-4281206-A PURGING WITH INERT GAS, FLOODING WITH LIQUID DEUTSCHE TEXACO AKTIENGESELLSCHAFT (DE) 1981-07-28 US disclosed
US-4231966-A CONDENSATION, HYDROGENATION OF KETONES DEUTSCHE TEXACO AKTIENGESELLSCHAFT (DE) 1980-11-04 US disclosed