Methyl Isobutyl Ketone

Methyl Isobutyl Ketone

SCHEMBL5000849

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

nearest known ligand 0.74

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.74
TDP1 Q9NUW8 1/20 0.74
CA1 P00915 2/20 0.43
CES2 O00748 6/20 0.42
CES1 P23141 3/20 0.42
FFAR1 O14842 1/20 0.41
EPHX1 P07099 1/20 0.41
GPR84 Q9NQS5 2/20 0.40
MEN1 O00255 1/20 0.40
FAAH O00519 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
AKR1B1 P15121 1/20 0.40
LMNA P02545 1/20 0.40

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 SCHEMBL2340589 1.00 ALDH1A1 (0.74) ALDH1A1TDP1CA1CES2CES1
Dodecane SCHEMBL28230254 0.97 ALDH1A1 (0.70) ALDH1A1TDP1CES2CES1EPHX1
Methyl Isobutyl Ketone SCHEMBL4469718 0.97 ALDH1A1 (0.70) ALDH1A1TDP1CES2CES1EPHX1
Methyl Isobutyl Ketone SCHEMBL9045794 0.91 ALDH1A1 (0.61) ALDH1A1TDP1CES2CES1FFAR1
Methyl Isobutyl Ketone SCHEMBL9056069 0.89 ALDH1A1 (0.82) ALDH1A1TDP1FFAR1
Cetyl Alcohol SCHEMBL8391123 0.89 ALDH1A1 (0.58) ALDH1A1TDP1CES2EPHX1GPR84
Methyl Isobutyl Ketone SCHEMBL28180590 0.89 ALDH1A1 (0.58) ALDH1A1TDP1CES2CES1FFAR1
2-Decanone SCHEMBL10511757 0.89 ALDH1A1 (0.58) ALDH1A1TDP1CES2CES1FFAR1
Myristyl Alcohol SCHEMBL8390931 0.89 ALDH1A1 (0.58) ALDH1A1TDP1CES2EPHX1GPR84
Methyl Isobutyl Ketone SCHEMBL3295769 0.88 ALDH1A1 (0.64) ALDH1A1TDP1CA1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7427529-B2 Deposition of permanent polymer structures for OLED fabrication SIMON FRASER UNIVERSITY (CA) 2008-09-23 US disclosed
US-20060208630-A1 Deposition of permanent polymer structures for OLED fabrication ROMAN PAUL J JR 2006-09-21 US disclosed
WO-2004095600-A2 DEPOSITION OF PERMANENT POLYMER STRUCTURES FOR OLED FABRICATION EKC TECHNOLOGY, INC. (US) 2004-11-04 WO disclosed
US-20040101988-A1 Deposition of permanent polymer structures for OLED fabrication SIMON FRASER UNIVERSITY (CA) 2004-05-27 US disclosed