Toluene

Toluene

SCHEMBL392682

C=CC=C.Cc1ccccc1

nearest known ligand 0.69

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.69
TSHR P16473 3/20 0.69
LMNA P02545 2/20 0.69
ALOX12 P18054 1/20 0.69
TDP1 Q9NUW8 3/20 0.44
TP53 P04637 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 3/20 0.42
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
POLB P06746 2/20 0.38
NPSR1 Q6W5P4 1/20 0.37
AKT1 P31749 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP2C19 P33261 1/20 0.34
NFKB1 P19838 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 SCHEMBL10610361 0.97 ACHE (0.65) ACHETSHRLMNAALOX12TDP1
Toluene SCHEMBL527814 0.88 ACHE (0.69) ACHETSHRLMNAALOX12TDP1
Toluene SCHEMBL28686825 0.87 LMNA (0.52) ACHETSHRLMNAALOX12TDP1
Styrene SCHEMBL9244926 0.87 ALDH1A1 (0.67) ACHETSHRLMNAALOX12TDP1
Toluene SCHEMBL11431950 0.86 TSHR (0.58) ACHETSHRLMNAALOX12TDP1
Toluene SCHEMBL9711191 0.85 ACHE (0.65) ACHETSHRLMNAALOX12TDP1
Toluene SCHEMBL4669662 0.83
Toluene SCHEMBL3396447 0.83 ACHE (0.85) ACHETSHRLMNAALOX12TDP1
Toluene SCHEMBL8943621 0.83 ACHE (0.85) ACHETSHRLMNAALOX12TDP1
Toluene SCHEMBL11235816 0.83 ACHE (0.85) ACHETSHRLMNAALOX12TDP1

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 2624 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119823673-A Lithium battery negative electrode binder, preparation method and application 万华化学集团股份有限公司 2025-04-15 CN claimed
CN-118165182-A Preparation method of amino acid functionalized polymeric ionic liquid for adsorbing formaldehyde 山东科技大学 2024-06-11 CN claimed
EP-4275787-A1 VINYL MONOMER-POLYVINYL CROSSLINKING AGENT COPOLYMER NON-POROUS MICROSPHERE, PREPARATION METHOD THERFOR, AND APPLICATION THEREOF Shenzhen Lifotronic Technology Co., Ltd. (CN) 2023-11-15 EP claimed
US-11759767-B2 Adsorbent composition, method of making the same, and uses thereof GOLDCORP INC. (US) 2023-09-19 US claimed
CN-113004326-B Phosphine ligand for butadiene hydroformylation reaction and preparation method thereof 中国科学院青岛生物能源与过程研究所 2022-11-04 CN claimed
CN-114573913-A High-durability polypropylene sound insulation material and preparation method thereof 常州精瑞斯新材料科技有限公司 2022-06-03 CN claimed
CN-113004326-A Phosphine ligand for butadiene hydroformylation reaction and preparation method thereof 中国科学院青岛生物能源与过程研究所 2021-06-22 CN claimed
US-20210009452-A1 METHODS AND APPARATUS FOR CONTROLLING WATER HARDNESS ECOLAB USA INC. 2021-01-14 US claimed
US-20200331786-A1 METHODS AND APPARATUS FOR CONTROLLING WATER HARDNESS ECOLAB USA INC. 2020-10-22 US claimed
CN-108341674-B Polymer precursor ceramic composite aerogel and microwave synthesis method thereof 郑州大学 2020-07-31 CN claimed
US-4543365-A MONO AND POLY-VINYL AROMATIC POLYMERS MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1985-09-24 US claimed
EP-0152780-A2 Method for increasing the porosity of a cross-linked copolymer Mitsubishi Chemical Corporation (JP) 1985-08-28 EP claimed
US-4319015-A USED AS SEPARATORS IN ION EXCHANGE RESIN FILTERS BAYER AKTIENGESELLSCHAFT (DE) 1982-03-09 US claimed
US-4250052-A Catalyst structure and a process for its preparation CHEMICAL RESEARCH & LICENSING COMPANY (US) 1981-02-10 US claimed
US-4178361-A Sustained release pharmaceutical composition UNION CORPORATION (US) 1979-12-11 US claimed
US-4123407-A Hydrophilic contact lens AMERICAN OPTICAL CORPORATION (US) 1978-10-31 US claimed
US-4123408-A Hydrogel contact lens AMERICAN OPTICAL CORPORATION (US) 1978-10-31 US claimed
US-4107135-A DAPPLED E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-08-15 US claimed
US-3989649-A Process for production of spherical porous fillers for liquid chromatography by suspension polymerization of monovinyl and polyvinyl aromatic monomers in the presence of paraffin wax SHOWA DENKO KABUSHIKI KAISHA (JA) 1976-11-02 US claimed
US-3976629-A Process of manufacturing spherical polymeric beads ICI AUSTRALIA LIMITED (AU) 1976-08-24 US claimed