Toluene

Toluene

SCHEMBL3864993

CCCCCCc1ccc(C)cc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.57
ALDH1A1 P00352 3/20 0.57
ESR1 P03372 2/20 0.57
ADRA2A P08913 2/20 0.57
ADORA3 P0DMS8 2/20 0.57
TACR2 P21452 2/20 0.57
SLC6A2 P23975 2/20 0.57
SLC6A4 P31645 2/20 0.57
SLC6A3 Q01959 2/20 0.57
KDM4E B2RXH2 1/20 0.57
LMNA P02545 1/20 0.57
SHBG P04278 1/20 0.57
TP53 P04637 1/20 0.57
CYP3A4 P08684 1/20 0.57
HSPD1 P10809 1/20 0.57
ADRB3 P13945 1/20 0.57
HTR2C P28335 1/20 0.57
HSPE1 P61604 1/20 0.57
HIF1A Q16665 1/20 0.57
TST Q16762 1/20 0.57

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 SCHEMBL6856351 1.00 HTR2A (0.57) HTR2AALDH1A1ESR1ADRA2AADORA3
Toluene SCHEMBL8592478 1.00 HTR2A (0.57) HTR2AALDH1A1ESR1ADRA2AADORA3
Toluene SCHEMBL18334412 1.00 HTR2A (0.57) HTR2AALDH1A1ESR1ADRA2AADORA3
Toluene SCHEMBL16863683 1.00 HTR2A (0.57) HTR2AALDH1A1ESR1ADRA2AADORA3
Toluene SCHEMBL459639 1.00 HTR2A (0.57) HTR2AALDH1A1ESR1ADRA2AADORA3
Toluene SCHEMBL8638308 1.00 HTR2A (0.57) HTR2AALDH1A1ESR1ADRA2AADORA3
Toluene SCHEMBL461437 1.00 HTR2A (0.57) HTR2AALDH1A1ESR1ADRA2AADORA3
Toluene SCHEMBL2490583 1.00 HTR2A (0.57) HTR2AALDH1A1ESR1ADRA2AADORA3
Toluene SCHEMBL3842230 1.00 HTR2A (0.57) HTR2AALDH1A1ESR1ADRA2AADORA3
Toluene SCHEMBL1934541 1.00 HTR2A (0.57) HTR2AALDH1A1ESR1ADRA2AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101589475-B Sheet for sealing backside of solar cell and solar cell module TORAY INDUSTRIES 2012-09-19 CN disclosed
CN-101589475-A Sheet for sealing backside of solar cell and solar cell module TORAY INDUSTRIES (JP) 2009-11-25 CN disclosed
EP-2096680-A1 SHEET FOR SEALING BACKSIDE OF SOLAR CELL AND SOLAR CELL MODULE Toray Industries, Inc. (JP) 2009-09-02 EP disclosed
EP-0769008-B1 PYRAZOLE DERIVATIVES AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2002-05-22 EP disclosed
US-6083881-A Pyrazole derivatives as herbicides NOVARTIS CORPORATION (US) 2000-07-04 US disclosed
EP-0769008-A1 PYRAZOLE DERIVATIVES AS HERBICIDES Novartis AG (CH) 1997-04-23 EP disclosed
WO-1996001254-A1 PYRAZOLE DERIVATIVES AS HERBICIDES CIBA-GEIGY AG (CH) 1996-01-18 WO disclosed