Toluene

Toluene

SCHEMBL3759688

C=CC(=O)OC(C)(C)C.Cc1ccccc1

nearest known ligand 0.40

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.40
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39
ALOX12 P18054 1/20 0.39
ACHE P22303 1/20 0.39
AKT1 P31749 1/20 0.38
CYP2C19 P33261 4/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
HTT P42858 1/20 0.37
NR1I2 O75469 1/20 0.37
PGR P06401 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
SLC6A2 P23975 1/20 0.37
TBXAS1 P24557 1/20 0.37
DRD3 P35462 1/20 0.37
OPRK1 P41145 1/20 0.37

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 SCHEMBL28163624 0.98 THRB (0.39) THRBLMNATSHRALOX12ACHE
Benzene SCHEMBL27527850 0.87 THRB (0.36) THRBLMNATSHRAKT1CYP2C19
Phenol SCHEMBL6931537 0.86 THRB (0.40) THRBTSHRAKT1CYP2C19CYP3A4
Benzene SCHEMBL28161005 0.85 THRB (0.35) THRBLMNATSHRAKT1CYP2C19
Fluorobenzene SCHEMBL28079208 0.84 THRB (0.39) THRBTSHRAKT1CYP2C19CYP3A4
Benzophenone SCHEMBL27887676 0.84 ALDH1A1 (0.48) LMNATSHRAKT1ALDH1A1HSD17B10
Chlorobenzene SCHEMBL28079345 0.84 XPO1 (0.40) THRBTSHRAKT1CYP2C19CYP3A4
Styrene SCHEMBL5008696 0.84 ALDH1A1 (0.48) THRBLMNATSHRAKT1CYP2C19
Styrene SCHEMBL6903124 0.84 ALDH1A1 (0.48) THRBLMNATSHRAKT1CYP2C19
Bromobenzene SCHEMBL28053133 0.84 NPC1 (0.41) THRBLMNATSHRAKT1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106749818-B A kind of polyethylene glycol antistatic agent and preparation method thereof 安徽工程大学 2019-06-11 CN disclosed
CN-106854343-B Basalt fibre mixes reinforced resin and preparation method thereof, application with glass fibre 四川航天五源复合材料有限公司 2019-02-05 CN disclosed
CN-105849177-B Multimodal polyethylene composition with barotolerance 北欧化工股份公司 2018-07-03 CN disclosed
CN-106854343-A Basalt fibre mixes reinforced resin and preparation method thereof, application with glass fibre 四川航天五源复合材料有限公司 2017-06-16 CN disclosed
CN-106749818-A A kind of polyethylene glycol antistatic additive and preparation method thereof 安徽工程大学 2017-05-31 CN disclosed
CN-105801410-A Method for synthesizing phenyl acrylate derivative by visible light catalysis of double-catalyst system 南京工业大学 2016-07-27 CN disclosed
CN-1665854-B Vinyl chloride copolymer resin for paste, composition, and process for producing same KANEGAFUCHI CHEMICAL IND 2010-04-21 CN disclosed
EP-1553116-B1 VINYL CHLORIDE COPOLYMER RESIN FOR PASTE, COMPOSITION, AND PROCESS FOR PRODUCING RESIN KANEKA CORP (JP) 2010-02-10 EP disclosed
CN-100409830-C Particulate colored compositions and their use in personal care products CIBA SC HOLDING AG (CH) 2008-08-13 CN disclosed
US-7354970-B2 Polyvinyl chloride copolymer paste resin, composition thereof, and method for making the resin KANEKA CORPORATION (JP) 2008-04-08 US disclosed
CN-1826094-A particulate coloring compositions and their use in personal care products CIBA SC HOLDING AG (CH) 2006-08-30 CN disclosed
US-20050209424-A1 Vinyl chloride copolymer resin for paste, composition, and process for producing KANEKA CORPORATION (JP) 2005-09-22 US disclosed
CN-1665854-A Vinyl chloride copolymer resin for paste, composition, and process for producing KANEGAFUCHI CHEMICAL IND (JP) 2005-09-07 CN disclosed
EP-1553116-A1 VINYL CHLORIDE COPOLYMER RESIN FOR PASTE, COMPOSITION, AND PROCESS FOR PRODUCING RESIN KANEKA CORPORATION (JP) 2005-07-13 EP disclosed