Octane

Octane

SCHEMBL27359191

CCCCCCCC.O=S(=O)(O)c1ncncn1

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
FAAH O00519 2/20 0.37
S1PR3 Q99500 1/20 0.37
NAAA Q02083 1/20 0.37
CA2 P00918 3/20 0.36
CA1 P00915 2/20 0.36
NPC1 O15118 2/20 0.36
LMNA P02545 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
PPARA Q07869 2/20 0.34
LPAR3 Q9UBY5 3/20 0.33
LPAR2 Q9HBW0 1/20 0.33
EPHX2 P34913 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33

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 SCHEMBL28223647 0.85 ALDH1A1 (0.38) KDM4EFAAHS1PR3CA2CA1
SCHEMBL27990009 0.81 HSP90AA1 (0.33) KDM4E
SCHEMBL27483430 0.76 KCNH2 (0.35) S1PR3ALDH1A1HTT
SCHEMBL27359190 0.75 CA1 (0.46) CA2CA1NPC1LMNANFKB1
SCHEMBL28075661 0.74 FAAH (0.34) KDM4EFAAHCA2NPC1LMNA
Octane SCHEMBL27984978 0.73 NR5A1 (0.41) KDM4EFAAHLMNAALDH1A1TP53
Hexadecane SCHEMBL27693931 0.71 TP53 (0.54) FAAHCA2CA1LMNAALDH1A1
Dodecane SCHEMBL28821764 0.71 TP53 (0.54) FAAHCA2CA1LMNAALDH1A1
Nonane SCHEMBL10614203 0.68 TSHR (0.57) FAAHCA2CA1LMNAALDH1A1
Dodecane SCHEMBL1939550 0.68 TSHR (0.57) FAAHCA2CA1LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1154686-C Compositions stabilized with tertiary amine oxides ͨ�õ�����˾ 2004-06-23 CN claimed
CN-1195671-A Compositions stabilized with tertiary amine oxides GEN ELECTRIC (US) 1998-10-14 CN claimed
CN-105339473-B Multifunctional lubricant composition 株式会社ADEKA 2018-01-02 CN disclosed
CN-105028068-B A kind of double-colored double formula degradative plastic films and preparation method thereof 陆海荣 2017-11-03 CN disclosed
CN-107189197-A The fire-retardant comprehensive colliery carries tubing of pipeline gallery of high-strength insulating 上海中塑管业有限公司 2017-09-22 CN disclosed
CN-105037910-B A kind of pair of furrow is broadcast with double formula degradative plastic films and preparation method thereof 陆海荣 2017-08-11 CN disclosed
CN-106009182-A High-strength polyethylene pipe for nuclear power 上海中塑管业有限公司 2016-10-12 CN disclosed
CN-106009245-A High-modulus polypropylene PP-HM double-wall corrugated pipe 上海中塑管业有限公司 2016-10-12 CN disclosed
CN-103958634-A Layered structure and articles made therefrom DOW GLOBAL TECHNOLOGIES INC 2014-07-30 CN disclosed
CN-103261310-A Non-carboxylated styrene-butadiene copolymers, method for the production thereof and use thereof BASF SE 2013-08-21 CN disclosed
CN-103261245-A Styrene-based copolymers having acid monomer units, dispersions, preparation and use thereof BASF SE 2013-08-21 CN disclosed
CN-1064992-C Stabilizers for prevention of gum formation in gasoline CIBA SC HOLDING AG (CH) 2001-04-25 CN disclosed
CN-1059899-C Novel 2-(2-hydroxy-3-alpha-cumyl-5-alkylphenyl)-2H-benzotriazoles CIBA GEIGY AG (CH) 2000-12-27 CN disclosed
CN-1265395-A Benzotriazole UV absorbent CIBA SC HOLDING AG (CH) 2000-09-06 CN disclosed
CN-1211588-A Composition stable against thermal oxidative or photo-degradation and process for preparing same CIBA GEIGY AG (CH) 1999-03-24 CN disclosed
CN-1195671-A Compositions stabilized with tertiary amine oxides GEN ELECTRIC (US) 1998-10-14 CN disclosed
CN-1172149-A Stabilizers for prevention of gum formation in gasoline CIBA SC HOLDING AG (CH) 1998-02-04 CN disclosed
CN-1163286-A Trialkanolamine triphosphite stabilized polyolefines containing catalyst remains CIBA GEIGY AG (CH) 1997-10-29 CN disclosed
CN-1140168-A Novel 2-(2-hydroxy-3-alpha-cumyl-5-alkylphenyl)-2H-benzotriazoles CIBA GEIGY AG (CH) 1997-01-15 CN disclosed
CN-1140187-A Coatings and recording materials stabilized with benzotriazole UV absorbers CIBA GEIGY AG (CH) 1997-01-15 CN disclosed