Toluene

Toluene

SCHEMBL27280596

C=O.Cc1ccccc1.NS(N)(=O)=O

nearest known ligand 0.58

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 2/20 0.58
LMNA P02545 1/20 0.58
TSHR P16473 1/20 0.58
ACHE P22303 1/20 0.58
CA2 P00918 12/20 0.48
CA1 P00915 11/20 0.48
CA9 Q16790 11/20 0.48
CA12 O43570 6/20 0.48
CA5A P35218 4/20 0.48
CA3 P07451 2/20 0.48
CA6 P23280 2/20 0.48
CA7 P43166 2/20 0.48
CA5B Q9Y2D0 2/20 0.48
CA4 P22748 1/20 0.46
PLA2G7 Q13093 1/20 0.46
CA13 Q8N1Q1 1/20 0.46
CA14 Q9ULX7 1/20 0.46
NPC1 O15118 1/20 0.43
MTOR P42345 1/20 0.43
RAB9A P51151 1/20 0.43

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 SCHEMBL664006 0.95 ALOX12 (0.65) ALOX12LMNATSHRACHECA2
Toluene SCHEMBL21814538 0.90 TSHR (0.52) ALOX12LMNATSHRACHECA2
Toluene SCHEMBL28079342 0.86 ACHE (0.79) ALOX12LMNATSHRACHECA2
Toluene SCHEMBL2952270 0.86
Toluene SCHEMBL27618301 0.86 ACHE (0.79) ALOX12LMNATSHRACHECA2
Toluene SCHEMBL28945577 0.84 ALOX12 (0.58) ALOX12LMNATSHRACHECA2
Toluene SCHEMBL27594905 0.84 LMNA (0.58) ALOX12LMNATSHRACHECA2
Toluene SCHEMBL821885 0.84 TSHR (0.58) ALOX12LMNATSHRACHECA2
Toluene SCHEMBL303284 0.82 ACHE (0.55) ALOX12LMNATSHRACHECA2
Toluene SCHEMBL27594908 0.82 TSHR (0.55) ALOX12LMNATSHRACHECA2

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
CN-104742492-B A kind of double coating positive-printing heat-sensitive CTP plate materials 乐凯华光印刷科技有限公司 2017-11-21 CN claimed
CN-107709507-A Using waterborne sulfonated aromatic polymer to strengthen water-retaining property 陶氏环球技术有限责任公司 2018-02-16 CN disclosed
CN-101720346-B Adhesive detection method HENKEL CORP 2012-02-29 CN disclosed
CN-101171298-B Salt-sensitive binder composition with N-alkylacrylamide and fibrous article comprising the same CELANESE INT CORP 2011-10-26 CN disclosed
CN-101180328-B Salt-sensitive vinyl acetate binder composition and fibrous articles comprising the same CELANESE INT CORP 2011-08-17 CN disclosed
CN-101720346-A Adhesive detection method HENKEL CORP 2010-06-02 CN disclosed
CN-101180328-A Salt-sensitive vinyl acetate binder composition and fibrous articles comprising the same CELANESE INT CORP (US) 2008-05-14 CN disclosed
CN-101171298-A Salt-sensitive binder composition with N-alkylacrylamide and fibrous article comprising the same CELANESE INT CORP (US) 2008-04-30 CN disclosed
CN-1006386-B PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER SHINETSU CHEM IND CO (JP) 1990-01-10 CN disclosed
CN-85107531-A Process for producing vinyl chloride polymer 1987-01-21 CN disclosed