Toluene

Toluene

SCHEMBL3396447

C=C.C=C.Cc1ccccc1

nearest known ligand 0.85

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.85
TSHR P16473 2/20 0.85
LMNA P02545 2/20 0.85
ALOX12 P18054 1/20 0.85
TDP1 Q9NUW8 3/20 0.50
HPGD P15428 2/20 0.48
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
POLB P06746 2/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP2C19 P33261 1/20 0.39
BRD4 O60885 1/20 0.39
BRD2 P25440 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39

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 SCHEMBL4669662 1.00
Toluene SCHEMBL11235816 1.00 ACHE (0.85) ACHETSHRLMNAALOX12TDP1
Toluene SCHEMBL8943621 1.00 ACHE (0.85) ACHETSHRLMNAALOX12TDP1
Toluene SCHEMBL5827882 0.96 ACHE (0.79) ACHETSHRLMNAALOX12TDP1
Toluene SCHEMBL3861974 0.96 ACHE (0.79) ACHETSHRLMNAALOX12TDP1
Toluene SCHEMBL6558705 0.96 ACHE (0.79) ACHETSHRLMNAALOX12TDP1
Toluene SCHEMBL11741410 0.96 ACHE (0.79) ACHETSHRLMNAALOX12TDP1
Toluene SCHEMBL1793349 0.96 ACHE (0.79) ACHETSHRLMNAALOX12TDP1
Toluene SCHEMBL15950152 0.96 ACHE (0.79) ACHETSHRLMNAALOX12TDP1
P-Xylene SCHEMBL15568087 0.96 ACHE (0.79) ACHETSHRLMNAALOX12TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8728359-B2 Fire retardant materials and methods FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2014-05-20 US disclosed
US-20140096886-A1 Fire Retardant Materials and Methods UNIV FLORIDA STATE RES FOUND (US) 2014-04-10 US disclosed
US-20100159228-A1 Method for Preparing a Composite Material ISOTHANE LIMITED (GB) 2010-06-24 US disclosed
US-7008555-B2 Epoxy resin curing agents and epoxy resin compositions APPLIED POLERAMIC INC. (US) 2006-03-07 US disclosed
EP-1506343-A1 SYSTEM FOR TREATING AN UNDERGROUND FORMATION Resolution Research Nederland B.V. (NL) 2005-02-16 EP disclosed
US-20040242836-A1 Epoxy resin curing agents and epoxy resin compositions APPLIED POLERAMIC INC. 2004-12-02 US disclosed
WO-2003097994-A1 SYSTEM FOR TREATING AN UNDERGROUND FORMATION RESOLUTION RESEARCH NEDERLAND B.V. (BE) 2003-11-27 WO disclosed
US-6562452-B2 Dispensable non-adhesive desiccated matrix system for insulating glass units TRUSEAL TECHNOLOGIES, INC. 2003-05-13 US disclosed
US-6212756-B1 Dispensable non-adhesive desiccated matrix system for insulating glass units TRUSEAL TECHNOLOGIES, INC. 2001-04-10 US disclosed
US-4414272-A SILICA, EPOXIDE, SILANE COUPLER OR ORGANOTITANIUM COMPOUND TEIJIN LIMITED (JP) 1983-11-08 US disclosed