Toluene

Toluene

SCHEMBL3093422

CC=O.Cc1ccccc1

nearest known ligand 0.69

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.69
ACHE P22303 4/20 0.69
LMNA P02545 2/20 0.69
ALOX12 P18054 1/20 0.69
CYP2A6 P11509 2/20 0.46
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
ALDH1A1 P00352 6/20 0.43
HPGD P15428 2/20 0.42
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CYP1B1 Q16678 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.38
BLM P54132 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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 SCHEMBL9451554 0.87 ACHE (0.79) TSHRACHELMNAALOX12CYP2A6
Toluene SCHEMBL27634085 0.85 ACHE (0.65) TSHRACHELMNAALOX12CYP2A6
Toluene SCHEMBL27357620 0.85 LMNA (0.65) TSHRACHELMNAALOX12CYP2A6
Toluene SCHEMBL27588494 0.85 TSHR (0.65) TSHRACHELMNAALOX12CYP2A6
Toluene SCHEMBL11006465 0.85 ACHE (0.65) TSHRACHELMNAALOX12CYP2A6
Toluene SCHEMBL28455430 0.85 ACHE (0.65) TSHRACHELMNAALOX12CYP2A6
Toluene SCHEMBL2511396 0.85 TSHR (0.65) TSHRACHELMNAALOX12CYP2A6
Toluene SCHEMBL11591907 0.85 TSHR (0.65) TSHRACHELMNAALOX12CYP2A6
Toluene SCHEMBL7662176 0.83
P-Xylene SCHEMBL27691132 0.83 ACHE (0.61) TSHRACHELMNAALOX12CYP2A6

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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103957732-A Antimicrobial mixture of aldehydes, organic acids and organic acid esters ANITOX CORP 2014-07-30 CN claimed
CN-101168589-B Technique for producing resin YOUZHI XU 2010-07-14 CN claimed
CN-101168589-A Technique for producing resin YOUZHI XU (CN) 2008-04-30 CN claimed
CN-110204486-A A kind of synthetic method of quinoline 江南大学 2019-09-06 CN disclosed
CN-106928120-B Method for continuously preparing dicarbonyl indole compounds by using microchannel reaction device 南京工业大学 2019-08-30 CN disclosed
CN-109310636-A The production method of dosage form OMYA国际股份公司 2019-02-05 CN disclosed
CN-109310637-A The production method of dosage form OMYA国际股份公司 2019-02-05 CN disclosed
CN-107438424-A Reduction of CPC taste aversion by reducing CPC activation of TRPA1 receptor, TPRV1 receptor, or both 宝洁公司 2017-12-05 CN disclosed
CN-106928120-A Method for continuously preparing dicarbonyl indole compounds by using microchannel reaction device 南京工业大学 2017-07-07 CN disclosed
CN-106631730-A Preparation method and application of bis-schiff base based fluorescent sensing material 江苏大学 2017-05-10 CN disclosed
CN-103957732-B The antimicrobial mixtures of aldehyde, organic acid and organic acid esters ANITOX CORP. (US) 2016-01-20 CN disclosed
US-5434257-A Binding compentent oligomers containing unsaturated 3',5' and 2',5' linkages GILEAD SCIENCES, INC. (US) 1995-07-18 US disclosed
WO-1995011911-A1 BINDING COMPETENT OLIGOMERS CONTAINING UNSATURATED 3',5' AND 2',5' LINKAGES GLAXO WELLCOME INC. (US) 1995-05-04 WO disclosed
EP-0643720-A1 BINDING COMPETENT OLIGOMERS CONTAINING 2', 5' LINKAGES GILEAD SCIENCES, INC. (US) 1995-03-22 EP disclosed
EP-0549686-A4 MODIFIED INTERNUCLEOSIDE LINKAGES GILEAD SCIENCES INC (US) 1995-01-18 EP disclosed
WO-1993024508-A1 BINDING COMPETENT OLIGOMERS CONTAINING 2', 5' LINKAGES GILEAD SCIENCES, INC. (US) 1993-12-09 WO disclosed
EP-0549686-A1 MODIFIED INTERNUCLEOSIDE LINKAGES GILEAD SCIENCES, INC. (US) 1993-07-07 EP disclosed
WO-1992005186-A1 MODIFIED INTERNUCLEOSIDE LINKAGES GILEAD SCIENCES (US) 1992-04-02 WO disclosed
CN-1042354-A (RS)-and 2-(2,3-dihydro-5-hydroxyl-4,6,7-trimethylbenzene benzofuryl) acetate and 2-2,3-dihydro-5-acetoxyl group-4,6,7-trimethylammonium benzofuryl) acetate and ester thereof, as mucus conditioning agent and anti-hyschaemic medicine and preparation method thereof FOSCAMA BIOMED CHIM FARMA (IT) 1990-05-23 CN disclosed
US-4841047-A ANTIALLERGENS AASTA PHARMA AG (DE) 1989-06-20 US disclosed