Toluene

Toluene

SCHEMBL9060745

CCCC.Cc1ccccc1.N.N.N.N.c1ccccc1

nearest known ligand 0.69

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.69
LMNA P02545 2/20 0.69
TSHR P16473 2/20 0.69
ALOX12 P18054 1/20 0.69
TP53 P04637 1/20 0.43
HPGD P15428 2/20 0.42
TDP1 Q9NUW8 2/20 0.41
HTT P42858 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CYP2C19 P33261 1/20 0.39
PCSK9 Q8NBP7 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
PSIP1 O75475 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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 SCHEMBL9860896 1.00 ACHE (0.69) ACHELMNATSHRALOX12TP53
Toluene SCHEMBL135978 1.00 ACHE (0.69) ACHELMNATSHRALOX12TP53
Toluene SCHEMBL3418554 1.00 ACHE (0.69) ACHELMNATSHRALOX12TP53
Toluene SCHEMBL991792 0.97 ACHE (0.73) ACHELMNATSHRALOX12TP53
Toluene SCHEMBL6581413 0.94 ACHE (0.69) ACHELMNATSHRALOX12TP53
Toluene SCHEMBL6697996 0.87 ACHE (0.79) ACHELMNATSHRALOX12TP53
Toluene SCHEMBL28760923 0.87 ACHE (0.92) ACHELMNATSHRALOX12HPGD
Toluene SCHEMBL27482738 0.87 ACHE (0.92) ACHELMNATSHRALOX12HPGD
Toluene SCHEMBL628172 0.87
Toluene SCHEMBL15009 0.87

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0729404-A1 METHOD FOR REPRODUCING HOLOGRAMS, KINOFORMS, DIFFRACTIVE OPTICAL ELEMENTS, MICROSTRUCTURES, AND A PLASTIC BINARY OPTICAL ELEMENT PRODUCED BY SUCH A METHOD DONNELLY OPTICS CORPORATION (US) 1996-09-04 EP disclosed
US-5538674-A Method for reproducing holograms, kinoforms, diffractive optical elements and microstructures DONNELLY CORPORATION (US) 1996-07-23 US disclosed
WO-1995013910-A1 METHOD FOR REPRODUCING HOLOGRAMS, KINOFORMS, DIFFRACTIVE OPTICAL ELEMENTS, MICROSTRUCTURES, AND A PLASTIC BINARY OPTICAL ELEMENT PRODUCED BY SUCH A METHOD DONNELLY CORPORATION (US) 1995-05-26 WO disclosed