Octane

Octane

SCHEMBL8046189

CCCCCCCC.Cc1ccc(C)cc1

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.61
ACHE P22303 2/20 0.53
TSHR P16473 1/20 0.53
THRB P10828 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
MCHR1 Q99705 1/20 0.48
KCNH2 Q12809 3/20 0.46
TP53 P04637 2/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
ESR1 P03372 2/20 0.42
ADRA2A P08913 2/20 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
P-Xylene SCHEMBL9422628 1.00 HTT (0.61) HTTACHETSHRTHRBTDP1
Tridecane SCHEMBL9799393 1.00 HTT (0.61) HTTACHETSHRTHRBTDP1
P-Xylene SCHEMBL10941786 1.00 HTT (0.61) HTTACHETSHRTHRBTDP1
P-Xylene SCHEMBL6129268 0.97 ACHE (0.57) HTTACHETSHRTHRBTDP1
P-Xylene SCHEMBL28089202 0.90 ACHE (0.57) HTTACHETSHRTDP1L3MBTL1
Undecane SCHEMBL28107197 0.89 LMNA (0.58) HTTACHETSHRL3MBTL1MCHR1
Dodecane SCHEMBL28591401 0.87 ACHE (0.65) HTTACHETSHRTDP1L3MBTL1
Octanol SCHEMBL8391778 0.87 LMNA (0.65) HTTACHETSHRTHRBTDP1
Octane SCHEMBL11602147 0.87 ACHE (0.65) HTTACHETSHRTDP1L3MBTL1
Nonane SCHEMBL27776640 0.87 ACHE (0.65) HTTACHETSHRTDP1L3MBTL1

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 11 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-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