Toluene

Toluene

SCHEMBL80497

CCCCCC.Cc1ccccc1

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.65
LMNA P02545 1/20 0.65
ALOX12 P18054 1/20 0.65
ACHE P22303 1/20 0.65
HTT P42858 1/20 0.50
PCSK9 Q8NBP7 1/20 0.48
LTA4H P09960 2/20 0.45
SIGMAR1 Q99720 1/20 0.45
CES2 O00748 2/20 0.43
CES1 P23141 2/20 0.43
DNM1 Q05193 1/20 0.43
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
EPHX2 P34913 1/20 0.42
PKM P14618 1/20 0.42

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 SCHEMBL18640410 1.00 TSHR (0.65) TSHRLMNAALOX12ACHEHTT
Toluene SCHEMBL2990240 1.00 TSHR (0.65) TSHRLMNAALOX12ACHEHTT
Toluene SCHEMBL4250303 1.00 TSHR (0.65) TSHRLMNAALOX12ACHEHTT
Toluene SCHEMBL1549759 1.00 TSHR (0.65) TSHRLMNAALOX12ACHEHTT
Toluene SCHEMBL10941851 1.00 TSHR (0.65) TSHRLMNAALOX12ACHEHTT
Toluene SCHEMBL27455870 1.00 TSHR (0.65) TSHRLMNAALOX12ACHEHTT
Toluene SCHEMBL27422075 1.00 TSHR (0.65) TSHRLMNAALOX12ACHEHTT
Toluene SCHEMBL6257976 1.00 TSHR (0.65) TSHRLMNAALOX12ACHEHTT
Octane SCHEMBL11193559 0.97 TSHR (0.61) TSHRLMNAALOX12ACHEHTT
Decane SCHEMBL7261270 0.97 TSHR (0.61) TSHRLMNAALOX12ACHEHTT

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

Appears in 4759 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114621763-B Method for synthesizing component-adjustable monodisperse high-entropy metal oxide colloid nanocrystalline 复旦大学 2023-07-07 CN claimed
CN-113443999-B Benzene liquid crystal compound and preparation method thereof 河北凡克新材料有限公司 2023-03-24 CN claimed
CN-114184707-A Method for determining chlorophenol content in water by single-droplet microextraction method 上海市宝山区疾病预防控制中心 2022-03-15 CN claimed
CN-113931003-A Thermal sublimation transfer printing coating with uniform temperature rise and functional micromolecule preparation process thereof 绍兴高塔新材料科技有限公司 2022-01-14 CN claimed
CN-113563898-A Liquid crystal compound and preparation method and application thereof 河北凡克新材料有限公司 2021-10-29 CN claimed
CN-113443999-A Benzene liquid crystal compound and preparation method thereof 河北凡克新材料有限公司 2021-09-28 CN claimed
CN-112986455-A Separation method of coal liquefied oil component 上海应用技术大学 2021-06-18 CN claimed
CN-111704577-A Preparation method of cinacalcet hydrochloride 华北水利水电大学 2020-09-25 CN claimed
CN-110514764-A It is a kind of to measure the remaining detection method of Multiple Pesticides in non-fat property fruits and vegetables SHANDONG LUQIAO DETECTION TECH CO LTD 2019-11-29 CN claimed
US-10388878-B2 Fullerene derivative and N-type semiconductor material DAIKIN INDUSTRIES, LTD. (JP) 2019-08-20 US claimed
US-6552209-B1 Such as reacting tantalum pentachloride with tertbutylamine and pyridine; stripping solvent and extracting into tetra-hydrofuran; adding extract to fresh in situ prepared lithium diethylamine solution; high yield and purity AIR PRODUCTS AND CHEMICALS, INC. 2003-04-22 US claimed
US-6384246-B1 ALCOHOL SOLVENT EXTRACTION, ADSORPTION, FURTHER EXTRACTION WITH ALIPHATIC HYDROCARBON AND CHLORINATED HYDROCARBON SOLVENT COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2002-05-07 US claimed
US-6251057-B1 FORMING SILICON-CARBON BONDS FOR USE IN ORGANOSILICON COMPOUNDS SYNTHESIS; ACTIVATED ALKYL HALIDES AND UNACTIVATED ALKYL HALIDES KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2001-06-26 US claimed
CN-1277211-A Molecular weight of polymer produced by single-point catalyst control and method of molecular weight distrubution UNION CARBIDE CHEM PLASTIC (US) 2000-12-20 CN claimed
EP-1054025-A1 Method for controlling molecular weight and molecular weight distribution in polymers produced using a single site catalyst UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2000-11-22 EP claimed
US-5582985-A PRETREATING NUCLEIC ACID PROBE WITH FORMALDEHYDE SOLUTION, ORGANIC SOLVENT AND PROTEASE; HYBRIDIZATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1996-12-10 US claimed
US-5354860-A Process for making pure S-timolol hemihydrate SANTEN PHARMACEUTICAL CO., LTD. (JP) 1994-10-11 US claimed
EP-0440684-B1 NOVEL S-TIMOLOL DERIVATIVE AND PROCESS FOR ITS PREPARATION LEIRAS OY (FI) 1994-09-28 EP claimed
EP-0440684-A1 NOVEL S-TIMOLOL DERIVATIVE AND PROCESS FOR ITS PREPARATION. HUHTAMAEKI YHTHYMAE OY (FI) 1991-08-14 EP claimed
WO-1990004592-A1 NOVEL S-TIMOLOL DERIVATIVE AND PROCESS FOR ITS PREPARATION Huhtamäki Oy (FI) 1990-05-03 WO claimed