Toluene

Toluene

SCHEMBL3671880

CCCCP.Cc1ccccc1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
LMNA P02545 1/20 0.52
ALOX12 P18054 1/20 0.52
ACHE P22303 1/20 0.52
PCSK9 Q8NBP7 1/20 0.42
HTT P42858 1/20 0.39
LTA4H P09960 2/20 0.38
PTGS2 P35354 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
CNR2 P34972 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.34

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 SCHEMBL11618017 1.00 TSHR (0.52) TSHRLMNAALOX12ACHEPCSK9
Toluene SCHEMBL28337909 1.00 TSHR (0.52) TSHRLMNAALOX12ACHEPCSK9
Toluene SCHEMBL80497 0.85 TSHR (0.65) TSHRLMNAALOX12ACHEPCSK9
Toluene SCHEMBL10941851 0.85 TSHR (0.65) TSHRLMNAALOX12ACHEPCSK9
Toluene SCHEMBL1549759 0.85 TSHR (0.65) TSHRLMNAALOX12ACHEPCSK9
Toluene SCHEMBL6257976 0.85 TSHR (0.65) TSHRLMNAALOX12ACHEPCSK9
Toluene SCHEMBL2990240 0.85 TSHR (0.65) TSHRLMNAALOX12ACHEPCSK9
Toluene SCHEMBL1155205 0.85 TSHR (0.65) TSHRLMNAALOX12ACHEPCSK9
Toluene SCHEMBL18640410 0.85 TSHR (0.65) TSHRLMNAALOX12ACHEPCSK9
Toluene SCHEMBL27422075 0.85 TSHR (0.65) TSHRLMNAALOX12ACHEPCSK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116444435-B Fluorene derivative, electronic element and electronic device 浙江八亿时空先进材料有限公司 2024-05-24 CN disclosed
CN-115626878-B Tetrahydrofluorene derivative and application thereof 北京八亿时空液晶科技股份有限公司 2024-05-10 CN disclosed
CN-115536535-B Fluorene derivative and organic light-emitting element comprising same 北京八亿时空液晶科技股份有限公司 2024-05-10 CN disclosed
CN-112794833-B Blue light dye compound and application thereof 石家庄诚志永华显示材料有限公司 2023-12-26 CN disclosed
CN-112794804-B Spirofluorene derivative and application thereof 石家庄诚志永华显示材料有限公司 2023-10-24 CN disclosed
CN-116874513-A Boron-containing heterocyclic compound and application thereof 北京八亿时空液晶科技股份有限公司 2023-10-13 CN disclosed
CN-112812023-B Organic compound, material for organic electroluminescent device, and organic electroluminescent device 石家庄诚志永华显示材料有限公司 2023-10-03 CN disclosed
CN-112830902-B Heterocyclic spirofluorene compounds and uses thereof 石家庄诚志永华显示材料有限公司 2023-09-29 CN disclosed
CN-113801151-B Condensed ring aromatic compound and application thereof 北京八亿时空液晶科技股份有限公司 2023-09-19 CN disclosed
CN-116655570-A Naphthofuran derivative and application thereof 北京八亿时空液晶科技股份有限公司 2023-08-29 CN disclosed
CN-116535408-A Preparation method of carbazole organic electroluminescent host material 安徽秀朗新材料科技有限公司 2023-08-04 CN disclosed
CN-110511151-A A kind of compound, the organic electroluminescence device comprising it and its application BEIJING ETERNAL MAT TECH CO LTD 2019-11-29 CN disclosed
CN-108440537-A Carbazole derivates, material and organic electroluminescence device comprising the carbazole derivates 石家庄诚志永华显示材料有限公司 2018-08-24 CN disclosed
CN-108290837-A Carbazole derivative and organic light-emitting device using the same 株式会社LG化学 2018-07-17 CN disclosed
CN-105777715-B A kind of compound, organic electroluminescence device and display device 阜阳欣奕华材料科技有限公司 2018-03-30 CN disclosed
CN-104403346-A Organic photosensitizer with isoindigo as conjugated bridge group CHINESE ACAD INST CHEMISTRY 2015-03-11 CN disclosed
EP-2139846-A1 NEW DIAMINE DERIVATIVES AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG Chem, Ltd. (KR) 2010-01-06 EP disclosed
WO-2008133459-A1 NEW DIAMINE DERIVATIVES AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2008-11-06 WO disclosed