O-Xylene

O-Xylene

SCHEMBL2907036

CCCCCC.Cc1ccccc1C

nearest known ligand 0.62

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.62
ACHE P22303 2/20 0.62
P2RX7 Q99572 1/20 0.44
ALDH1A1 P00352 3/20 0.42
TP53 P04637 2/20 0.42
LIPG Q9Y5X9 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
LTA4H P09960 1/20 0.41
THRB P10828 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
HTT P42858 2/20 0.41
KCNH2 Q12809 1/20 0.41
MAPT P10636 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
O-Xylene SCHEMBL11212422 1.00 TSHR (0.62) TSHRACHEP2RX7ALDH1A1TP53
O-Xylene SCHEMBL10976233 1.00 TSHR (0.62) TSHRACHEP2RX7ALDH1A1TP53
O-Xylene SCHEMBL11192456 1.00 TSHR (0.62) TSHRACHEP2RX7ALDH1A1TP53
O-Xylene SCHEMBL11166318 1.00 TSHR (0.62) TSHRACHEP2RX7ALDH1A1TP53
O-Xylene SCHEMBL10970480 1.00 TSHR (0.62) TSHRACHEP2RX7ALDH1A1TP53
Decane SCHEMBL15200902 0.97 TSHR (0.59) TSHRACHEP2RX7ALDH1A1TP53
Nonane SCHEMBL10943433 0.97 TSHR (0.59) TSHRACHEP2RX7ALDH1A1TP53
O-Xylene SCHEMBL10941793 0.97 TSHR (0.59) TSHRACHEP2RX7ALDH1A1TP53
Hexadecane SCHEMBL9547561 0.97 TSHR (0.59) TSHRACHEP2RX7ALDH1A1TP53
Octane SCHEMBL8046192 0.97 TSHR (0.59) TSHRACHEP2RX7ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110343127-A A kind of preparation method of 9- silicon fluorene derivative 中国科学院化学研究所 2019-10-18 CN claimed
CN-101167697-A Donepezils compound long-acting slow-releasing and controlled-releasing composition and preparation method thereof SHANGHAI INST MATERIA MEDICA (CN) 2008-04-30 CN 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
EP-0336744-B1 Adhesive composition SUMITOMO CHEMICAL CO (JP) 1993-10-27 EP claimed
US-11608591-B2 Stabilization of fabric surfaces Engineered Floors LLC (US) 2023-03-21 US disclosed
CN-110494419-A Organic Tellurium Compounds and its manufacturing method, active free radical polymerization initiator, the manufacturing method of polyvinyl and polyvinyl UNIV KYOTO 2019-11-22 CN disclosed
CN-110343127-A A kind of preparation method of 9- silicon fluorene derivative 中国科学院化学研究所 2019-10-18 CN disclosed
CN-110191921-A Epoxy resin composition 住友精化株式会社 2019-08-30 CN disclosed
CN-110177819-A Composition epoxy resin 住友精化株式会社 2019-08-27 CN disclosed
CN-110177820-A Epoxy resin composition 住友精化株式会社 2019-08-27 CN disclosed
CN-110168017-A EPOXY RESIN COMPOSITION 住友精化株式会社 2019-08-23 CN disclosed
EP-0022816-A4 THE PREPARATION OF ANTIOXIDANT AMIDES. GOODYEAR TIRE & RUBBER (US) 1981-06-26 EP disclosed
EP-0022816-A1 THE PREPARATION OF ANTIOXIDANT AMIDES. GOODYEAR TIRE & RUBBER (US) 1981-01-28 EP disclosed
WO-1980001564-A1 IN-SITU HYDROLYSIS OF ANTIOXIDANT AMIDES GOODYEAR TIRE & RUBBER (US) 1980-08-07 WO disclosed
US-4201441-A A POLYVINYLCARBAZOLE, IODINE COMPOUND, ELUTION CANON KABUSHIKI KAISHA (JP) 1980-05-06 US disclosed
US-4172721-A USING MONLAYER OF PARTICLES COMPRISING A RESIN CARRIER CONTAINING COLOR-PHOTOSENSITIVE MATERIAL AND A SOLID-FORM DYE MATERIAL XEROX CORPORATION (US) 1979-10-30 US disclosed
US-4101378-A ADDING A GLYCERIDE TO THE CULTURE MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1978-07-18 US disclosed
US-4071627-A 2-Oximino-tetrahydro-1,4-thiazin-5-one compounds and pesticidal carbamate derivatives UNION CARBIDE CORPORATION (US) 1978-01-31 US disclosed
US-4057469-A Process for the microbiological oxidation of steroids MITSUBISHI CHEMICAL INDUSTRIES LTD. (JA) 1977-11-08 US disclosed