Sugi Predict

Sugi Predict / Compounds / Octane

Octane

Octane

SCHEMBL8046192

CCCCCCCC.Cc1ccccc1C

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.59
▸ ACHE P22303 1/20 0.59
▸ P2RX7 Q99572 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ LIPG Q9Y5X9 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ KCNH2 Q12809 2/20 0.44
▸ TP53 P04637 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ DNM1 Q05193 1/20 0.43
▸ MEN1 O00255 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
Nonane SCHEMBL10943433 1.00 TSHR (0.59) TSHRACHEP2RX7THRBLIPG
O-Xylene SCHEMBL7635740 1.00 TSHR (0.59) TSHRACHEP2RX7THRBLIPG
O-Xylene SCHEMBL27774107 1.00 TSHR (0.59) TSHRACHEP2RX7THRBLIPG
Decane SCHEMBL15200902 1.00 TSHR (0.59) TSHRACHEP2RX7THRBLIPG
O-Xylene SCHEMBL10941793 1.00 TSHR (0.59) TSHRACHEP2RX7THRBLIPG
Decane SCHEMBL9863298 1.00 TSHR (0.59) TSHRACHEP2RX7THRBLIPG
Dodecane SCHEMBL28874984 1.00 TSHR (0.59) TSHRACHEP2RX7THRBLIPG
Hexadecane SCHEMBL9547561 1.00 TSHR (0.59) TSHRACHEP2RX7THRBLIPG
O-Xylene SCHEMBL25403462 0.97 TSHR (0.56) TSHRACHEP2RX7THRBLIPG
Octane SCHEMBL28068387 0.97 TSHR (0.56) TSHRACHEP2RX7THRBLIPG

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6013850-A OLIGOMERIZATION OF ETHYLENE IN AN INERT SOLVENT USING A COORDINATION CATALYST OF A TITANATE, AN ORGANOALUMINUM COMPOUND AND A TRIORGANOPHOSPINE; CONTINUOUS FEEDING OF ETHYLENE AT LOW PRESSURE; HIGH CONVERSIONS AND SELECTIVITY INDIAN PETROCHEMICALS CORPORATION LIMITED (IN) 2000-01-11 — — US claimed
CN-112899044-A Light hydrocarbon fuel composition for vehicle 平湖市晨星科技实业有限公司 2021-06-04 — — CN disclosed
CN-105474099-B Laminated body 富士胶片株式会社 2019-09-03 — — CN disclosed
CN-104737073-B Anti-corrosion agent composition 三菱瓦斯化学株式会社 2019-03-08 — — CN disclosed
CN-103733135-B Resist composition, method for forming resist pattern, polyphenol compound used for the same, and alcohol compound derived from the polyphenol compound 三菱瓦斯化学株式会社 2018-11-27 — — CN disclosed
CN-107848946-A New (methyl) acryl compound and its manufacture method 三菱瓦斯化学株式会社 2018-03-27 — — CN disclosed
CN-107533290-A RESIST BASE MATERIAL, RESIST COMPOSITION, AND METHOD FOR FORMING RESIST PATTERN 三菱瓦斯化学株式会社 2018-01-02 — — CN disclosed
CN-107428717-A Resist composition, resist pattern forming method, and polyphenol compound used for same 三菱瓦斯化学株式会社 2017-12-01 — — CN disclosed
CN-107430338-A RADIATION-SENSITIVE COMPOSITION 三菱瓦斯化学株式会社 2017-12-01 — — CN disclosed
CN-106957217-A Polyphenol compound for anti-corrosion agent composition 三菱瓦斯化学株式会社 2017-07-18 — — CN disclosed
CN-104974801-B Modified kerosene composition 中国石化扬子石油化工有限公司 2017-02-08 — — 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
CN-104974801-A Modified kerosene composition SINOPEC YANGZI PETROCHEMICAL 2015-10-14 — — CN disclosed
CN-1928031-A High-octane alcohol hydrocarbon fuel for vehicular SHANGHAI ZHONGMAO NEW ENERGY R (CN) 2007-03-14 — — CN disclosed