Toluene

Toluene

SCHEMBL27361671

CCC=O.Cc1ccccc1

nearest known ligand 0.58

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.58
TSHR P16473 2/20 0.58
ALOX12 P18054 1/20 0.58
ACHE P22303 1/20 0.58
ALDH1A1 P00352 4/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
POLB P06746 1/20 0.41
KMT2A Q03164 3/20 0.40
CYP2A6 P11509 2/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.37
PSIP1 O75475 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
Toluene SCHEMBL27904963 0.91 LMNA (0.48) LMNATSHRALOX12ACHEALDH1A1
Toluene SCHEMBL28455430 0.83 ACHE (0.65) LMNATSHRALOX12ACHEALDH1A1
Toluene SCHEMBL9799830 0.83 ALDH1A1 (0.55) LMNATSHRALOX12ACHEALDH1A1
M-Xylene SCHEMBL28139324 0.82 ACHE (0.60) TSHRACHEALDH1A1MAPK1TDP1
Toluene SCHEMBL11850046 0.82 LMNA (0.55) LMNATSHRALOX12ACHEALDH1A1
O-Xylene SCHEMBL28108596 0.81 TSHR (0.56) LMNATSHRACHEALDH1A1MAPK1
Biphenyl SCHEMBL27273593 0.81 ALDH1A1 (0.50) LMNATSHRALDH1A1MAPK1TDP1
Toluene SCHEMBL3093422 0.80 TSHR (0.69) LMNATSHRALOX12ACHEALDH1A1
Toluene SCHEMBL27721045 0.80 LMNA (0.52) LMNATSHRALOX12ACHEALDH1A1
Toluene SCHEMBL6697996 0.80 ACHE (0.79) LMNATSHRALOX12ACHETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109593030-A A kind of α, the preparation method of alpha-single chloro acetophenone compounds 西安近代化学研究所 2019-04-09 CN claimed
CN-106311330-B Ion pair type rare-earth metal catalyst and its preparation method and application 安徽师范大学 2018-12-28 CN claimed
CN-108570065-A The method for synthesizing borate based on β-di-imidogen bivalent rare earth boron hydrogen complex 苏州大学张家港工业技术研究院 2018-09-25 CN claimed
CN-108445137-A A kind of high efficiency liquid chromatography for separating and determining 2, the method for 4- dichloroacetophenones and o-methyl-benzene ethyl ketone 常州市盛辉药业有限公司 2018-08-24 CN claimed
CN-108276264-A Preparation method of α -bromo aromatic ketone compound 宁夏宝塔化工中心实验室(有限公司) 2018-07-13 CN claimed
CN-107382871-A The synthetic method of cyazofamid 无锡市稼宝药业有限公司 2017-11-24 CN claimed
CN-107011265-A Synthesize 4 [base of 5 (2 aminomethyl phenyl) 3 (trifluoromethyl) 1 hydrogen pyrazoles 1] benzsulfamides 福建省福抗药业股份有限公司 2017-08-04 CN claimed
CN-106397163-A Method for removal of methanamide by dichlorination 重庆大学 2017-02-15 CN claimed
CN-106311330-A Ion pair type rare earth metal catalyst, preparing method and application thereof 安徽师范大学 2017-01-11 CN claimed
CN-106040303-A Application of beta-diimine divalent rare earth boron hydrogen complex in catalyzing hydroboration reaction of ketone and borane 苏州大学张家港工业技术研究院 2016-10-26 CN claimed
CN-102320909-A Synthesis method of alpha-ketone thiocyanate compound UNIV ZHEJIANG TECHNOLOGY 2012-01-18 CN claimed
CN-101638381-A Synthesis method of montelukast sodium intermediate LUNAN PHARM GROUP CORP 2010-02-03 CN claimed
CN-101337979-A Improved method for preparing glyphosate by catalytic oxidation of N-(phosphonomethyl) iminodiacetic acid through oxygen-rich gas ZHEJIANG XINAN CHEMICAL IND GR (CN) 2009-01-07 CN claimed
CN-100357263-C Preparation process of oxime strain ester UNIV TONGJI (CN) 2007-12-26 CN claimed
CN-100334070-C Tech. for synthesizing high productivity oxime kresoxim TONGNA ENVIRONMENT PROT SCI & (CN) 2007-08-29 CN claimed
CN-1319925-C Alkylbenzene photooxidizing process with oxygen to prepare aromatic aldehyde and aromatic acid CHINESE ACAD INST CHEMISTRY (CN) 2007-06-06 CN claimed
CN-1810754-A Alkylbenzene photooxidizing process with oxygen to prepare aromatic aldehyde and aromatic acid CHINESE ACAD INST CHEMISTRY (CN) 2006-08-02 CN claimed
CN-1793115-A Tech. for synthesizing high productivity oxime kresoxim TONGNA ENVIRONMENT PROT SCI & (CN) 2006-06-28 CN claimed
CN-1560027-A Preparation process of oxime strain ester 同济大学 2005-01-05 CN claimed
CN-1069042-A Fragrant ink and method for formulating ZHAO JING (CN) 1993-02-17 CN claimed