Octane

Octane

SCHEMBL230047

CCCCCCCC.c1ccccc1

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.73
THRB P10828 1/20 0.73
CHRM2 P08172 2/20 0.55
ADRA2A P08913 2/20 0.55
ADORA3 P0DMS8 2/20 0.55
CHRM1 P11229 2/20 0.55
ACHE P22303 2/20 0.55
SLC6A2 P23975 2/20 0.55
SLC6A4 P31645 2/20 0.55
SLC6A3 Q01959 2/20 0.55
ABCB11 O95342 1/20 0.55
ESR1 P03372 1/20 0.55
PGR P06401 1/20 0.55
HTR1A P08908 1/20 0.55
DRD1 P21728 1/20 0.55
TBXA2R P21731 1/20 0.55
PTGS1 P23219 1/20 0.55
PDE4A P27815 1/20 0.55
ADRA1A P35348 1/20 0.55
OPRM1 P35372 1/20 0.55

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
Heptane SCHEMBL525073 1.00 TSHR (0.73) TSHRTHRBCHRM2ADRA2AADORA3
Dodecane SCHEMBL4276278 1.00 TSHR (0.73) TSHRTHRBCHRM2ADRA2AADORA3
Decane SCHEMBL8721425 1.00 TSHR (0.73) TSHRTHRBCHRM2ADRA2AADORA3
Benzene SCHEMBL7777324 1.00 TSHR (0.73) TSHRTHRBCHRM2ADRA2AADORA3
Decane SCHEMBL21835095 1.00 TSHR (0.73) TSHRTHRBCHRM2ADRA2AADORA3
Decane SCHEMBL2143566 1.00 TSHR (0.73) TSHRTHRBCHRM2ADRA2AADORA3
Nonane SCHEMBL8084281 1.00 TSHR (0.73) TSHRTHRBCHRM2ADRA2AADORA3
Heptane SCHEMBL11528917 1.00 TSHR (0.73) TSHRTHRBCHRM2ADRA2AADORA3
Tetradecane SCHEMBL21835096 1.00 TSHR (0.73) TSHRTHRBCHRM2ADRA2AADORA3
Hexadecane SCHEMBL8471184 1.00 TSHR (0.73) TSHRTHRBCHRM2ADRA2AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581600-A1 PROCESS FOR EXTRACTION OF AROMATICS FROM PETROLEUM STREAMS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2005-10-05 EP claimed
US-20040182750-A1 Process for extraction of aromatics from petroleum streams COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-09-23 US claimed
WO-2004058920-A1 PROCESS FOR EXTRACTION OF AROMATICS FROM PETROLEUM STREAMS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-07-15 WO claimed
US-20240218267-A1 AROMATICS EXTRACTION THROUGH INTEGRATION OF COMPLEMENTARY CO-SOLVENTS UOP LLC 2024-07-04 US disclosed
WO-2024145089-A1 IMPROVING AROMATICS EXTRACTION THROUGH INTEGRATION OF COMPLEMENTARY CO-SOLVENTS UOP LLC (US) 2024-07-04 WO disclosed
CN-109665981-B Preparation method of caprolactam 中国石油化工股份有限公司 2024-05-17 CN disclosed
CN-109665995-B Refining method of caprolactam crude product and preparation method of caprolactam 中国石油化工股份有限公司(CN) 2023-01-13 CN disclosed
CN-109665997-B Preparation method of caprolactam 中国石油化工股份有限公司 2021-01-08 CN disclosed
US-10875780-B2 Synthesis of nanocrystalline beta zeolite, synthesis method and use thereof in catalytic applications UNIVERSITAT POLITECNICA DE VALENCIA (ES) 2020-12-29 US disclosed
CN-111592492-A Method for improving quality of caprolactam product subjected to liquid phase Beckmann rearrangement 中国石油化工股份有限公司 2020-08-28 CN disclosed
US-20200216326-A1 Synthesis of Nanocrystalline Beta Zeolite, Synthesis Method and use Thereof in Catalytic Applications CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) 2020-07-09 US disclosed
CN-1007151-B Leukotriene antagonists SMITHKLINE BECKMAN CORP (US) 1990-03-14 CN disclosed
CN-85100811-A The antagonistic preparation method of leukotriene 1986-07-09 CN disclosed
US-4594432-A Process for the synthesis of 1α,23(S),25-trihydroxycholecalciferol and 1α,23(R),25-trihydroxycholecalciferol HOFFMAN-LA ROCHE INC. (US) 1986-06-10 US disclosed
US-4347394-A FROM ACYCLIC HYDROCARBONS USING A ZEOLITE FREE OF ACIDITY AS CATALYST CHEVRON RESEARCH COMPANY (US) 1982-08-31 US disclosed
US-4157354-A Cycloparaffin dehydrogenation to form aromatics using palladium alloy foil GRYAZNOV VLADIMIR M (SU) 1979-06-05 US disclosed
US-4064188-A CATALYST OF PALLADIUM-BASE ALLOY FOIL WITH RHENIUM, TUNGSTEN OR RUTHENIUM SMIRNOV VIKTOR SERGEEVICH 1977-12-20 US disclosed
US-4041093-A AS CATALYST A FOIL OF PALLADIUM ALLOYED WITH RHENIUM ANDOR TUNGSTEN N SMIRNOV VIKTOR SERGEEVICH 1977-08-09 US disclosed
US-4001229-A ALKANESULFONAMIDO TRIPHENYLETHYLENES MEAD JOHNSON & COMPANY (US) 1977-01-04 US disclosed
US-3933619-A HIGH OCTANE, LOW LEAD, HYDROCRACKING, ISOMERIZATION CHEVRON RESEARCH COMPANY (US) 1976-01-20 US disclosed