Isopropylbenzene

Isopropylbenzene

SCHEMBL1347599

CC(C)c1ccccc1.N=C=O

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.41
MIF P14174 2/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
TAAR1 Q96RJ0 3/20 0.39
TYR P14679 3/20 0.39
CYP2D6 P10635 3/20 0.38
HIF1A Q16665 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2C P18825 1/20 0.38
LMNA P02545 1/20 0.38
CNR2 P34972 1/20 0.38
MDM4 O15151 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38

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
Isopropylbenzene SCHEMBL133881 1.00 CYP2C9 (0.41) CYP2C9MIFCRHBPCRHR2TAAR1
Isopropylbenzene SCHEMBL7814888 0.93 CRHBP (0.44) CYP2C9MIFCRHBPCRHR2TAAR1
Isopropylbenzene SCHEMBL28542164 0.91 LMNA (0.46) CYP2C9MIFCRHBPCRHR2TAAR1
Isopropylbenzene SCHEMBL20573012 0.90 MIF (0.43) MIFTAAR1CYP2D6HIF1AKDM4E
Isopropylbenzene SCHEMBL3075578 0.89 TYR (0.38) CYP2C9MIFCRHBPCRHR2TAAR1
SCHEMBL11148259 0.87 TYR (0.50) CYP2C9TYRCYP2D6HIF1AKDM4E
SCHEMBL7192884 0.87 TYR (0.50) CYP2C9TYRCYP2D6HIF1AKDM4E
SCHEMBL4808563 0.85 DAO (0.41) MIFTAAR1TYRCYP2D6HIF1A
SCHEMBL132503 0.85 DAO (0.41) MIFTAAR1TYRCYP2D6HIF1A
Isopropylbenzene SCHEMBL2889333 0.85 MIF (0.50) MIFTAAR1CYP2D6HIF1AKDM4E

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 90 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110669457-A Long-acting building waterproof adhesive 李小忠 2020-01-10 CN claimed
US-7008996-B2 Water-dispersed powder slurry coating SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2006-03-07 US claimed
EP-0551568-B2 A method of coating a substrate with multiple layers of a coating BASF CORP (US) 2002-10-23 EP claimed
US-6235843-B1 AQUEOUS, EMULSION COPOLYMERIZATION OF ETHYLENICALLY UNSATURATED MONOMERS, AT LEAST ONE OF WHICH IS ISOCYONATE-FUNCTIONAL, FOLLOWED BY DRYING, PREFERABLY SPRAY DRYING, IN THE PRESENCE OF A PROTECTIVE COLLOID. WACKER-CHEMIE GMBH (DE) 2001-05-22 US claimed
US-5783629-A BONDING STRENGTH; CHEMICAL RESISTANCE SOLVAY ENGINEERED POLYMERS (US) 1998-07-21 US claimed
US-4754011-A FREE RADICAL CATALYSIS, CHAIN TRANSFER, ADDITION POLYMERIZATION AMERICAN CYANAMID COMPANY (US) 1988-06-28 US claimed
EP-0149038-A2 Cationic copolymerization of meta- or paraisopropenyl-alpha,alpha-dimethylbenzylisocyanate AMERICAN CYANAMID COMPANY (US) 1985-07-24 EP claimed
EP-0130322-A2 Emulsion copolymerisation of meta- or para-isopropenyl-alpha,alpha-dimethylbenzylisocyanate AMERICAN CYANAMID COMPANY (US) 1985-01-09 EP claimed
JP-5171107-A None JP disclosed
CN-114380874-B Macrolide antibiotics, preparation method and application thereof 中国医学科学院医药生物技术研究所 2024-06-21 CN disclosed
CN-117924612-A Corneal contact lens and silicone contact lens 望隼科技股份有限公司 2024-04-26 CN disclosed
CN-117551001-A Preparation method and preparation system of substituted phenyl isocyanate 湖南化工研究院有限公司 2024-02-13 CN disclosed
CN-114907599-A Method for manufacturing contact lens 望隼科技股份有限公司 2022-08-16 CN disclosed
CN-111491915-B Method for producing carbodiimides 朗盛德国有限责任公司 2022-08-09 CN disclosed
EP-0203361-A2 Improved polyester resin gelkote composition THE GLIDDEN COMPANY (formerly known as ATKEMIX EIGHT INC.) (US) 1986-12-03 EP disclosed
EP-0149038-A3 CATIONIC COPOLYMERIZATION OF META- OR PARAISOPROPENYL-ALPHA,ALPHA-DIMETHYLBENZYLISOCYANATE AMERICAN CYANAMID COMPANY (US) 1985-08-21 EP disclosed
EP-0149038-A2 Cationic copolymerization of meta- or paraisopropenyl-alpha,alpha-dimethylbenzylisocyanate AMERICAN CYANAMID COMPANY (US) 1985-07-24 EP disclosed
EP-0149038-A2 Cationic copolymerization of meta- or paraisopropenyl-alpha,alpha-dimethylbenzylisocyanate AMERICAN CYANAMID COMPANY (US) 1985-07-24 EP disclosed
EP-0127802-A2 Meta- and para-isopropenyl-alpha,alpha-dimethylbenzylamine AMERICAN CYANAMID COMPANY (US) 1984-12-12 EP disclosed
WO-1983000117-A1 PROCESS FOR MAKING POLYURETHANE FOAM TENHAGEN, RUDOLF, JOHANN 1983-01-20 WO disclosed