O-Xylene

O-Xylene

SCHEMBL7939277

CCCCC.Cc1ccccc1C

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.62
ACHE P22303 2/20 0.62
LMNA P02545 1/20 0.44
ALDH1A1 P00352 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
P2RX7 Q99572 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
PCSK9 Q8NBP7 1/20 0.39
LTA4H P09960 1/20 0.39
CYP3A4 P08684 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
CYP1A2 P05177 3/20 0.38
CYP2A6 P11509 1/20 0.38
PTGS2 P35354 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
Octane SCHEMBL28068387 0.94 TSHR (0.56) TSHRACHEALDH1A1P2RX7HTT
O-Xylene SCHEMBL10976233 0.94 TSHR (0.62) TSHRACHEALDH1A1CA1CA2
O-Xylene SCHEMBL11212422 0.94 TSHR (0.62) TSHRACHEALDH1A1CA1CA2
O-Xylene SCHEMBL10970480 0.94 TSHR (0.62) TSHRACHEALDH1A1CA1CA2
O-Xylene SCHEMBL11166318 0.94 TSHR (0.62) TSHRACHEALDH1A1CA1CA2
O-Xylene SCHEMBL2907036 0.94 TSHR (0.62) TSHRACHEALDH1A1CA1CA2
O-Xylene SCHEMBL11192456 0.94 TSHR (0.62) TSHRACHEALDH1A1CA1CA2
Decane SCHEMBL15200902 0.91 TSHR (0.59) TSHRACHEALDH1A1P2RX7HTT
O-Xylene SCHEMBL10941793 0.91 TSHR (0.59) TSHRACHEALDH1A1P2RX7HTT
Octane SCHEMBL8046192 0.91 TSHR (0.59) TSHRACHEALDH1A1P2RX7HTT

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-1273575-A Integrated process for the production of ethylene, ethylbenzene and styrene NETZER D (US) 2000-11-15 CN claimed
CN-109306238-B Polyurethane coating composition, cured coating film, and resin member 日油株式会社 2021-09-21 CN disclosed
CN-111448230-A Resin composition, coating composition, and coated article 三菱化学株式会社 2020-07-24 CN disclosed
EP-2980112-B1 URETHANE CURABLE COMPOSITION NOF CORP (JP) 2020-03-18 EP disclosed
US-10577477-B2 Urethane curable composition NOF CORPORATION (JP) 2020-03-03 US disclosed
CN-109476847-A Novel organic silicon compound and cosmetic containing same 信越化学工业株式会社 2019-03-15 CN disclosed
CN-109306238-A Polyurethane coating composition, cured coating film and resin component 日油株式会社 2019-02-05 CN disclosed
CN-107533291-A Compound, resist composition, and resist pattern formation method using same 三菱瓦斯化学株式会社 2018-01-02 CN disclosed
CN-104662058-B Urethane solidification compound 日油株式会社 2017-08-25 CN disclosed
CN-106957432-A New silicone compounds and the cosmetic containing the new silicone compounds 信越化学工业株式会社 2017-07-18 CN disclosed
CN-106796401-A Pattern forming method, composition for forming upper layer film, resist pattern, and method for manufacturing electronic device 富士胶片株式会社 2017-05-31 CN disclosed
CN-106716257-A Pattern forming method, resist pattern, and electronic device manufacturing method 富士胶片株式会社 2017-05-24 CN disclosed
CN-106552517-A Barrier filter and filter method, photoetching medicinal liquid purify the manufacture method and Resist patterns forming method of product 东京应化工业株式会社 2017-04-05 CN disclosed
CN-103717562-B Cyclic compound, its manufacture method, compositions and corrosion-resisting pattern forming method 三菱瓦斯化学株式会社 2016-08-24 CN disclosed
EP-2980112-A1 URETHANE CURABLE COMPOSITION NOF Corporation (JP) 2016-02-03 EP disclosed
US-20160002437-A1 URETHANE CURABLE COMPOSITION NOF CORPORATION (JP) 2016-01-07 US disclosed
CN-104662058-A Urethane curable composition NOF CORP 2015-05-27 CN disclosed
WO-2001007489-A1 LINEAR ALPHA-OLEFIN/DIVINYLBENZENE COPOLYMERS AND GRAFT THE PENN STATE RESEARCH FOUNDATION (US) 2001-02-01 WO disclosed