Toluene

Toluene

SCHEMBL5328980

C1CCSC1.Cc1ccccc1

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.58
ACHE P22303 4/20 0.58
TSHR P16473 2/20 0.58
ALOX12 P18054 1/20 0.58
HPGD P15428 3/20 0.37
TDP1 Q9NUW8 2/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
POLB P06746 2/20 0.34
NPSR1 Q6W5P4 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
HTT P42858 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP2C19 P33261 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31

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 SCHEMBL28096125 0.97 LMNA (0.55) LMNAACHETSHRALOX12HPGD
P-Xylene SCHEMBL4462544 0.86 ACHE (0.50) LMNAACHETSHRALOX12HPGD
Toluene SCHEMBL17164536 0.85 LMNA (0.52) LMNAACHETSHRALOX12HPGD
P-Xylene SCHEMBL7998231 0.83 ACHE (0.47) LMNAACHETSHRALOX12HPGD
O-Xylene SCHEMBL27476428 0.81 TSHR (0.56) LMNAACHETSHRHPGDTDP1
Toluene SCHEMBL23491537 0.80 ACHE (0.79) LMNAACHETSHRALOX12HPGD
Toluene SCHEMBL11529127 0.80 ACHE (0.79) LMNAACHETSHRALOX12HPGD
Toluene SCHEMBL1289937 0.80 ACHE (0.79) LMNAACHETSHRALOX12HPGD
Cyclooctane SCHEMBL16909938 0.80 ACHE (0.79) LMNAACHETSHRALOX12HPGD
Toluene SCHEMBL598534 0.80 ACHE (0.79) LMNAACHETSHRALOX12HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113788741-B Method for preparing 2-cyclopropyl phenol derivative 大连九信精细化工有限公司 2023-12-29 CN claimed
JP-62145054-A None JP disclosed
CN-115819297-B Preparation method of 2-nitro-4-methylsulfonyl benzoic acid 南京先进生物材料与过程装备研究院有限公司 2024-03-29 CN disclosed
CN-113788741-B Method for preparing 2-cyclopropyl phenol derivative 大连九信精细化工有限公司 2023-12-29 CN disclosed
CN-113788741-A Method for preparing 2-cyclopropyl phenol derivative 大连九信精细化工有限公司 2021-12-14 CN disclosed
CN-110511533-B Polyether-ether-ketone/tetrafluoroethylene-perfluoroalkoxy vinyl ether copolymer/chopped quartz fiber material, and preparation method and application thereof 吉林大学 2020-08-04 CN disclosed
CN-110511533-A Polyether-ether-ketone/tetrafluoroethylene-perfluoro alkoxy vinyl ethers copolymer/be chopped silica fiber material, preparation method and application UNIV JILIN 2019-11-29 CN disclosed
US-20170240473-A1 MESOPOROUS MATERIALS FROM NANOPARTICLE ENHANCED POLYSACCHARIDES CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2017-08-24 US disclosed
EP-3194046-A1 MESOPOROUS MATERIALS FROM NANOPARTICLE ENHANCED POLYSACCHARIDES The University of York (GB) 2017-07-26 EP disclosed
WO-2016042321-A1 MESOPOROUS MATERIALS FROM NANOPARTICLE ENHANCED POLYSACCHARIDES UNIVERSITY OF YORK (GB) 2016-03-24 WO disclosed
WO-2007015262-A2 A PROCESS FOR THE PREPARATION OF (-)-TRANS-4-(P-FLUOROPHENYL)-3-[[3,4-(METHYLENEDIOXY)PHENOXY]METHYL)]PIPERIDINE SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2007-02-08 WO disclosed
EP-0369643-B1 Ink-jet printing inks HEWLETT PACKARD CO (US) 1995-09-06 EP disclosed
US-5347018-A Freezing point depressants PHILLIPS PETROLEUM COMPANY (US) 1994-09-13 US disclosed
US-5098474-A Dyes containing alkylamino groups for ink-jet printing inks HEWLETT-PACKARD COMPANY (US) 1992-03-24 US disclosed
US-5012006-A Hydroformylation of 1,1-dialkylethylenes in presence of cobalt carbonyl complex catalysts, water-containing solvents or lactones or sulfones BASF AKTIENGESELLSCHAFT (DE) 1991-04-30 US disclosed
EP-0369643-A2 Ink-jet printing inks Hewlett-Packard Company (US) 1990-05-23 EP disclosed
JP-S62145054-A NOVEL DIHYDRIC PHENOL AND PRODUCTION THEREOF IDEMITSU KOSAN CO LTD 1987-06-29 JP disclosed