Toluene

Toluene

SCHEMBL2054280

Cc1ccccc1.N=C=O.N=C=O.O=C=Nc1ccccc1

nearest known ligand 0.44

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
LMNA P02545 1/20 0.44
ALOX12 P18054 1/20 0.44
ACHE P22303 1/20 0.44
CYP3A4 P08684 3/20 0.41
MIF P14174 1/20 0.40
TRPA1 O75762 1/20 0.40
CYP2D6 P10635 1/20 0.35
HIF1A Q16665 1/20 0.35
MAPK1 P28482 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
MAPT P10636 3/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 2/20 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 SCHEMBL22973769 0.94 TSHR (0.50) TSHRLMNAALOX12ACHECYP3A4
Toluene SCHEMBL3417699 0.92 MIF (0.47) TSHRLMNAALOX12ACHECYP3A4
Toluene SCHEMBL29263225 0.90 CYP3A4 (0.43) TSHRLMNAALOX12ACHECYP3A4
Toluene SCHEMBL28840552 0.90 CYP3A4 (0.50) TSHRLMNAALOX12ACHECYP3A4
SCHEMBL28893803 0.89 CYP3A4 (0.48) TSHRLMNACYP3A4MIFTRPA1
SCHEMBL28583699 0.89 CYP3A4 (0.48) TSHRLMNACYP3A4MIFTRPA1
SCHEMBL7984176 0.89 CYP3A4 (0.48) TSHRLMNACYP3A4MIFTRPA1
SCHEMBL11151377 0.88 CYP3A4 (0.48) TSHRLMNAALOX12ACHECYP3A4
Methane SCHEMBL11855207 0.87 CYP3A4 (0.46) TSHRLMNACYP3A4MIFTRPA1
SCHEMBL19876727 0.85 CYP3A4 (0.50) TSHRLMNAACHECYP3A4TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10865271-B2 Epoxy compositions and surfacing films therefrom 3M INNOVATIVE PROPERTIES COMPANY (US) 2020-12-15 US disclosed
US-10625463-B2 Method of making structured hybrid adhesive articles including lightning strike protection sheets 3M INNOVATIVE PROPERTIES COMPANY (US) 2020-04-21 US disclosed
US-20190160729-A1 METHOD OF MAKING STRUCTURED HYBRID ADHESIVE ARTICLES 3M INNOVATIVE PROPERTIES CO (US) 2019-05-30 US disclosed
EP-2870190-B1 METHOD OF MAKING STRUCTURED HYBRID ADHESIVE ARTICLES 3M INNOVATIVE PROPERTIES CO (US) 2019-02-13 EP disclosed
US-20180291139-A1 EPOXY COMPOSITIONS AND SURFACING FILMS THEREFROM 3M INNOVATIVE PROPERTIES COMPANY 2018-10-11 US disclosed
EP-2519583-B1 EPOXY COMPOSITIONS AND SURFACING FILMS THEREFROM 3M INNOVATIVE PROPERTIES CO (US) 2017-10-04 EP disclosed
US-20150165670-A1 METHOD OF MAKING STRUCTURED HYBRID ADHESIVE ARTICLES 3M INNOVATIVE PROPERTIES COMPANY 2015-06-18 US disclosed
US-20110159266-A1 EPOXY COMPOSITIONS AND SURFACING FILMS THEREFROM 3M INNOVATIVE PROPERTIES COMPANY 2011-06-30 US disclosed