Toluene

Toluene

SCHEMBL998833

C=CCCCC.Cc1ccccc1

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.58
ALDH1A1 P00352 2/20 0.58
LMNA P02545 1/20 0.46
ALOX12 P18054 1/20 0.46
ACHE P22303 1/20 0.46
PCSK9 Q8NBP7 1/20 0.38
HTT P42858 1/20 0.35
LTA4H P09960 1/20 0.34
USP2 O75604 1/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ATM Q13315 1/20 0.34
PDE5A O76074 1/20 0.33
PTGS2 P35354 1/20 0.33
C5AR1 P21730 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 SCHEMBL5084004 0.98 TSHR (0.56) TSHRALDH1A1LMNAALOX12ACHE
Toluene SCHEMBL8147547 0.92 TSHR (0.61) TSHRALDH1A1LMNAALOX12ACHE
Toluene SCHEMBL11023406 0.92 TSHR (0.61) TSHRALDH1A1LMNAALOX12ACHE
Toluene SCHEMBL782975 0.92 TSHR (0.61) TSHRALDH1A1LMNAALOX12ACHE
Toluene SCHEMBL11011055 0.92 TSHR (0.61) TSHRALDH1A1LMNAALOX12ACHE
Heptane SCHEMBL6130166 0.92 TSHR (0.61) TSHRALDH1A1LMNAALOX12ACHE
Toluene SCHEMBL9153035 0.87 TSHR (0.55) TSHRALDH1A1LMNAALOX12ACHE
Toluene SCHEMBL20497325 0.86 TSHR (0.53) TSHRALDH1A1
Biphenyl SCHEMBL27462127 0.85 TSHR (0.61) TSHRALDH1A1HPGD
Toluene SCHEMBL20497322 0.84 TSHR (0.52) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3747853-B1 AROMATIC ALKYLATION USING CHEMICALLY-TREATED SOLID OXIDES CHEVRON PHILLIPS CHEMICAL CO LP (US) 2023-09-13 EP disclosed
US-11735293-B2 Methods for determining transition metal compound concentrations in multicomponent liquid systems CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2023-08-22 US disclosed
EP-3774019-B1 METHODS FOR DETERMINING TRANSITION METAL COMPOUND CONCENTRATIONS IN MULTICOMPONENT LIQUID SYSTEMS CHEVRON PHILLIPS CHEMICAL CO LP (US) 2022-08-03 EP disclosed
US-20210391034-A1 Methods for Determining Transition Metal Compound Concentrations in Multicomponent Liquid Systems CHEVRON PHILLIPS CHEMICAL COMPANY LP 2021-12-16 US disclosed
EP-3922349-A1 METHODS FOR DETERMINING TRANSITION METAL COMPOUND CONCENTRATIONS IN MULTICOMPONENT LIQUID SYSTEMS Chevron Phillips Chemical Company LP (US) 2021-12-15 EP disclosed
US-11170874-B2 Methods for determining transition metal compound concentrations in multicomponent liquid systems CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2021-11-09 US disclosed
EP-3774019-A1 METHODS FOR DETERMINING TRANSITION METAL COMPOUND CONCENTRATIONS IN MULTICOMPONENT LIQUID SYSTEMS CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2021-02-17 EP disclosed
US-10870094-B2 Methods for determining transition metal compound concentrations in multicomponent liquid systems CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2020-12-22 US disclosed
US-20200219591-A1 Methods for Determining Transition Metal Compound Concentrations in Multicomponent Liquid Systems CHEVRON PHILLIPS CHEMICAL COMPANY LP 2020-07-09 US disclosed
US-10679734-B2 Methods for determining transition metal compound concentrations in multicomponent liquid systems CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2020-06-09 US disclosed
EP-0812335-A1 TRIS(PENTAFLUOROPHENYL)BORATE COMPLEXES AND CATALYSTS DERIVED THEREFROM MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-12-17 EP disclosed
EP-0636151-B1 TRIS(PENTAFLUOROPHENYL)BORANE COMPLEXES AND CATALYSTS DERIVED THEREFROM MINNESOTA MINING & MFG (US) 1997-10-15 EP disclosed
WO-1996026967-A1 TRIS(PENTAFLUOROPHENYL)BORATE COMPLEXES AND CATALYSTS DERIVED THEREFROM MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-09-06 WO disclosed
US-5451704-A PRODUCTION OF HYDROCARBON LUBRICANTS MOBIL OIL CORPORATION (US) 1995-09-19 US disclosed
US-5416177-A Olefin polymerization catalyst MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-05-16 US disclosed
EP-0636151-A1 TRIS(PENTAFLUOROPHENYL)BORANE COMPLEXES AND CATALYSTS DERIVED THEREFROM. MINNESOTA MINING & MFG (US) 1995-02-01 EP disclosed
US-5296433-A For polymerization of olefins MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-03-22 US disclosed
US-5294578-A Bonding hydroxy substrates to organic metal halides for Friedel-crafts reactions, oligomerization, alkylation, acylation or isomerization MOBIL OIL CORP. (US) 1994-03-15 US disclosed
WO-1993021238-A2 TRIS(PENTAFLUOROPHENYL)BORANE COMPLEXES AND CATALYSTS DERIVED THEREFROM MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-10-28 WO disclosed
US-4287255-A HAVING A RELEASE SURFACE AND AN ADHESIVE LAYER CONTAINING A PHOTOPOLYMERIZABLE COMPOUND AND A CURED POLYMER STRIP AVERY INTERNATIONAL CORPORATION (US) 1981-09-01 US disclosed