Toluene

Toluene

SCHEMBL8569158

Cc1ccccc1.c1ccc2c(c1)-c1ccccc1-2

nearest known ligand 0.79

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.79
TSHR P16473 3/20 0.79
LMNA P02545 2/20 0.79
ALOX12 P18054 1/20 0.79
TDP1 Q9NUW8 4/20 0.47
HPGD P15428 2/20 0.46
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
MAPT P10636 4/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
MAPK1 P28482 2/20 0.42
POLB P06746 2/20 0.42
HTT P42858 2/20 0.42

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 SCHEMBL8433895 0.89 ACHE (1.00) ACHETSHRLMNAALOX12TDP1
Toluene SCHEMBL10976206 0.89 ACHE (1.00) ACHETSHRLMNAALOX12TDP1
SCHEMBL12344964 0.89 ACHE (1.00) ACHETSHRLMNAALOX12TDP1
Toluene SCHEMBL8824270 0.89 ACHE (1.00) ACHETSHRLMNAALOX12TDP1
Toluene SCHEMBL4535818 0.89 ACHE (1.00) ACHETSHRLMNAALOX12TDP1
Toluene SCHEMBL1 0.89
Toluene SCHEMBL8938900 0.89 ACHE (1.00) ACHETSHRLMNAALOX12TDP1
Toluene SCHEMBL4429042 0.89 ACHE (1.00) ACHETSHRLMNAALOX12TDP1
Toluene SCHEMBL175861 0.89 ACHE (1.00) ACHETSHRLMNAALOX12TDP1
SCHEMBL12344943 0.89 ACHE (1.00) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0541530-B1 ENVIRONMENTAL PROTECTION AND SEALING RAYCHEM LTD (GB) 1998-01-07 EP claimed
CN-1028241-C Environmenal protection and bonding RAYCHEM LTD (GB) 1995-04-19 CN claimed
EP-0541530-A1 ENVIRONMENTAL PROTECTION AND SEALING RAYCHEM LIMITED (GB) 1993-05-19 EP claimed
CN-1049221-A Environmental protection and connection RAYCHEM LTD (GB) 1991-02-13 CN claimed
WO-1991000896-A1 ENVIRONMENTAL PROTECTION AND SEALING RAYCHEM LIMITED (GB) 1991-01-24 WO claimed
US-4009307-A Polyurea-urethane coatings PPG INDUSTRIES, INC. (US) 1977-02-22 US disclosed
US-3939051-A Process for electrodeposition of cationic thermosetting compositions PPG INDUSTRIES, INC. (US) 1976-02-17 US disclosed