Toluene

Toluene

SCHEMBL8669808

CCOCC.Cc1ccccc1.N=C=O.N=C=O

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
ACHE P22303 2/20 0.46
LMNA P02545 1/20 0.46
ALOX12 P18054 1/20 0.46
KCNH2 Q12809 1/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 1/20 0.34
PIN1 Q13526 2/20 0.34
GAA P10253 2/20 0.34
POLB P06746 2/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
BCHE P06276 1/20 0.33

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 SCHEMBL3662951 0.87 ACHE (0.55) TSHRACHELMNAALOX12MEN1
Toluene SCHEMBL8107016 0.87 TSHR (0.61) TSHRACHELMNAALOX12MEN1
Toluene SCHEMBL98542 0.87 TSHR (0.61) TSHRACHELMNAALOX12MEN1
Toluene SCHEMBL8618202 0.87 TSHR (0.61) TSHRACHELMNAALOX12MEN1
Toluene SCHEMBL11442347 0.87 TSHR (0.61) TSHRACHELMNAALOX12MEN1
Toluene SCHEMBL4611849 0.87 TSHR (0.61) TSHRACHELMNAALOX12MEN1
Toluene SCHEMBL8432145 0.87 TSHR (0.61) TSHRACHELMNAALOX12MEN1
Toluene SCHEMBL10589554 0.87 TSHR (0.61) TSHRACHELMNAALOX12MEN1
Toluene SCHEMBL6666240 0.87 TSHR (0.61) TSHRACHELMNAALOX12MEN1
Toluene SCHEMBL9180469 0.87 TSHR (0.61) TSHRACHELMNAALOX12MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110709445-B Monoepoxide-monoamine adducts as wetting and dispersing agents 毕克化学有限公司 2023-08-08 CN disclosed
CN-110709445-A Monoepoxide-monoamine adducts as wetting agents and dispersants 毕克化学有限公司 2020-01-17 CN disclosed
EP-0748176-B1 Method for increasing the gloss of a surface MINNESOTA MINING & MFG (US) 1998-04-22 EP disclosed
EP-0748176-A1 Method for increasing the gloss of a surface MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-12-18 EP disclosed
WO-1995023539-A1 SURFACE CONDITIONING METHODS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-09-08 WO disclosed
US-5400458-A Brush segment for industrial brushes MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-03-28 US disclosed