Toluene

Toluene

SCHEMBL5014303

Cc1ccccc1.Cn1ccnc1

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 2/20 0.62
QPCTL Q9NXS2 2/20 0.62
NFKB1 P19838 1/20 0.62
HSD17B10 Q99714 1/20 0.62
TSHR P16473 2/20 0.46
LMNA P02545 1/20 0.46
ALOX12 P18054 1/20 0.46
ACHE P22303 1/20 0.46
CYP19A1 P11511 7/20 0.46
CYP3A4 P08684 2/20 0.45
CYP11B1 P15538 5/20 0.43
CYP11B2 P19099 5/20 0.43
CYP17A1 P05093 3/20 0.42
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
TBXAS1 P24557 1/20 0.41
CYP4Z1 Q86W10 1/20 0.41
CYP26A1 O43174 1/20 0.40

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 SCHEMBL27720702 0.98 QPCT (0.60) QPCTQPCTLNFKB1HSD17B10TSHR
Toluene SCHEMBL28294826 0.98 QPCT (0.60) QPCTQPCTLNFKB1HSD17B10TSHR
Toluene SCHEMBL4300043 0.89 QPCT (0.50) QPCTQPCTLNFKB1HSD17B10TSHR
M-Xylene SCHEMBL29245042 0.86 NFKB1 (0.60) QPCTQPCTLNFKB1HSD17B10TSHR
1-Methylimidazole SCHEMBL8002456 0.84 QPCT (0.88) QPCTQPCTLNFKB1HSD17B10TSHR
Phenol SCHEMBL11630320 0.82 QPCT (0.60) QPCTQPCTLNFKB1HSD17B10TSHR
Naphthalene SCHEMBL28099094 0.81 QPCT (0.65) QPCTQPCTLNFKB1HSD17B10TSHR
1-Methylimidazole SCHEMBL21182316 0.80 QPCT (0.58) QPCTQPCTLNFKB1HSD17B10TSHR
1-Methylimidazole SCHEMBL20112 0.79
1-Methylimidazole SCHEMBL9244221 0.79 NFKB1 (1.00) QPCTQPCTLNFKB1HSD17B10CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100591407-C Method for separating hydrogen chloride and phosgene BASF AG 2010-02-24 CN claimed
CN-101018596-A Method for separating hydrogen chloride and phosgene BASF AG (DE) 2007-08-15 CN claimed
CN-110790636-A Refining method for removing trace aldehyde group in 1, 3-propylene glycol 万华化学集团股份有限公司 2020-02-14 CN disclosed
CN-107532129-A Efficient small volume nucleic acid synthesis 生命技术公司 2018-01-02 CN disclosed
CN-104511310-A Mesoporous carbon supported N-heterocyclic carbene-palladium catalyst as well as preparation and application thereof EAST CHINA INST TECHNOLOGY 2015-04-15 CN disclosed
CN-100591407-C Method for separating hydrogen chloride and phosgene BASF AG 2010-02-24 CN disclosed
US-7391603-B2 Electric double layer capacitor and electrolytic solution therefor HONDA MOTOR CO., LTD. (JP) 2008-06-24 US disclosed
CN-101018596-A Method for separating hydrogen chloride and phosgene BASF AG (DE) 2007-08-15 CN disclosed
US-20060262485-A1 Electric double layer capacitor and electrolytic solution therefor MITSUBISHI CHEMICAL CORPORATION (JP) 2006-11-23 US disclosed