Toluene

Toluene

SCHEMBL337110

Cc1cccc(C)c1C.Cc1ccccc1

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.65
TSHR P16473 3/20 0.65
LMNA P02545 2/20 0.65
ALOX12 P18054 1/20 0.65
TRPA1 O75762 2/20 0.48
ATM Q13315 1/20 0.48
NPSR1 Q6W5P4 1/20 0.46
HPGD P15428 1/20 0.46
RAPGEF4 Q8WZA2 1/20 0.45
CYP1A2 P05177 3/20 0.44
MEN1 O00255 1/20 0.44
AKR1B10 O60218 1/20 0.44
ABCB11 O95342 1/20 0.44
DHFR P00374 1/20 0.44
MPO P05164 1/20 0.44
CYP3A4 P08684 1/20 0.44
CHRM1 P11229 1/20 0.44
CYP2C9 P11712 1/20 0.44
AKR1B1 P15121 1/20 0.44
PTGS1 P23219 1/20 0.44

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
P-Xylene SCHEMBL1959829 0.88 ACHE (0.53) ACHETSHRLMNAALOX12TRPA1
Benzene SCHEMBL22829865 0.87 TRPA1 (0.58) ACHETSHRLMNAALOX12TRPA1
O-Xylene SCHEMBL8979417 0.86 ACHE (0.61) ACHETSHRLMNAALOX12TRPA1
Toluene SCHEMBL5573198 0.85 ACHE (0.69) ACHETSHRLMNAALOX12TRPA1
O-Xylene SCHEMBL11240856 0.84 ACHE (0.79) ACHETSHRLMNAALOX12NPSR1
O-Xylene SCHEMBL8910096 0.84 ACHE (0.79) ACHETSHRLMNAALOX12NPSR1
O-Xylene SCHEMBL10822510 0.84 ACHE (0.79) ACHETSHRLMNAALOX12NPSR1
SCHEMBL20960205 0.84 ACHE (0.71) ACHETSHRLMNAALOX12TRPA1
O-Xylene SCHEMBL1088985 0.84 ACHE (0.79) ACHETSHRLMNAALOX12NPSR1
O-Xylene SCHEMBL11765114 0.84 ACHE (0.79) ACHETSHRLMNAALOX12NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112876329-B System and method for high-selectivity preparation of xylene from methanol and directional conversion of xylene isomers 北京化工大学 2023-03-21 CN claimed
CN-112876329-A System and method for high-selectivity preparation of xylene from methanol and directional conversion of xylene isomers 北京化工大学 2021-06-01 CN claimed
US-8097764-B2 Methods of isomerizing xylenes with a catalyst reduced in the presence of hydrogen and a base CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2012-01-17 US claimed
US-20110046428-A1 Methods of Isomerizing Xylenes with a Catalyst Reduced in the Presence of Hydrogen and a Base CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2011-02-24 US claimed
US-5808117-A ACETOLYSIS BY HEATING UNDER PRESSURE; OXIDATION; HYDROLYSIS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 1998-09-15 US claimed
CN-112876329-B System and method for high-selectivity preparation of xylene from methanol and directional conversion of xylene isomers 北京化工大学 2023-03-21 CN disclosed
CN-112876329-B System and method for high-selectivity preparation of xylene from methanol and directional conversion of xylene isomers 北京化工大学 2023-03-21 CN disclosed
CN-114097817-A Compound insecticidal water emulsion containing cyfluthrin and tefluthrin and application thereof 江苏扬农化工股份有限公司 2022-03-01 CN disclosed
CN-112876329-A System and method for high-selectivity preparation of xylene from methanol and directional conversion of xylene isomers 北京化工大学 2021-06-01 CN disclosed
CN-112876329-A System and method for high-selectivity preparation of xylene from methanol and directional conversion of xylene isomers 北京化工大学 2021-06-01 CN disclosed
CN-110743609-B Combined catalyst and preparation method thereof, and method for preparing dimethylbenzene by carbon dioxide hydrogenation coupling toluene alkylation 厦门大学 2020-11-17 CN disclosed
CN-111374145-A Compound insecticidal water emulsion containing cyfluthrin and tefluthrin and application thereof 江苏扬农化工股份有限公司 2020-07-07 CN disclosed
CN-102584732-A Method for preparing plerixafor JIANGSU AOSAIKANG PHARM CO LTD 2012-07-18 CN disclosed
US-8097764-B2 Methods of isomerizing xylenes with a catalyst reduced in the presence of hydrogen and a base CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2012-01-17 US disclosed
US-20110046428-A1 Methods of Isomerizing Xylenes with a Catalyst Reduced in the Presence of Hydrogen and a Base CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2011-02-24 US disclosed
US-7851664-B2 Methods of isomerizing xylenes with a catalyst reduced in the presence of hydrogen and a base CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2010-12-14 US disclosed
US-20090163752-A1 Methods of isomerizing xylenes with a catalyst reduced in the presence of hydrogen and a base CHEVRON PHILLIPS CHEMICAL COMPANY LP 2009-06-25 US disclosed
CN-1850337-A Method for preparing nano zeolite catalyst and its use in methylbenzene and trimethyl benzene transalkylation reaction UNIV DALIAN TECH (CN) 2006-10-25 CN disclosed
CN-1721377-A Process for preparing p-xylene SINOPEC CORP (CN) 2006-01-18 CN disclosed
US-4127471-A Hydrocracking alkylaromatic-containing hydrocarbons at mild cracking conditions and then subjecting the alkylaromatic hydrocarbon to alkyl transfer TEXACO INC. (US) 1978-11-28 US disclosed