Hexadecane

Hexadecane

SCHEMBL324236

CCCCCCCCCCCCCCCC.OO

nearest known ligand 0.80

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.80
THRB P10828 1/20 0.80
ALDH1A1 P00352 3/20 0.64
LMNA P02545 2/20 0.64
HSD17B10 Q99714 2/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
GPR84 Q9NQS5 7/20 0.59
PPARG P37231 7/20 0.59
PPARD Q03181 7/20 0.59
PPARA Q07869 7/20 0.59
HDAC11 Q96DB2 5/20 0.59
PTPN1 P18031 3/20 0.59
TLR2 O60603 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
FABP4 P15090 2/20 0.59
SLC22A6 Q4U2R8 1/20 0.59
SLC22A8 Q8TCC7 1/20 0.59
ESR1 P03372 1/20 0.59
ALOX15 P16050 1/20 0.59

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
Dodecane SCHEMBL12471999 1.00 TSHR (0.80) TSHRTHRBALDH1A1LMNAHSD17B10
Octane SCHEMBL18614727 1.00 TSHR (0.80) TSHRTHRBALDH1A1LMNAHSD17B10
Nonane SCHEMBL10467499 1.00 TSHR (0.80) TSHRTHRBALDH1A1LMNAHSD17B10
Heptane SCHEMBL11234776 1.00 TSHR (0.80) TSHRTHRBALDH1A1LMNAHSD17B10
Octane SCHEMBL11234565 1.00 TSHR (0.80) TSHRTHRBALDH1A1LMNAHSD17B10
Decane SCHEMBL11784594 1.00 TSHR (0.80) TSHRTHRBALDH1A1LMNAHSD17B10
Nonane SCHEMBL11226977 1.00 TSHR (0.80) TSHRTHRBALDH1A1LMNAHSD17B10
Decane SCHEMBL11227696 1.00 TSHR (0.80) TSHRTHRBALDH1A1LMNAHSD17B10
Hexane SCHEMBL11134445 0.95
Hexane SCHEMBL11235960 0.95 TSHR (0.70) TSHRTHRBALDH1A1LMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111534337-A Process for producing high-flash-point non-nitrate diesel oil cetane number anti-wear antistatic complexing agent 开封泓盈化工发展有限公司 2020-08-14 CN disclosed
US-9109179-B2 Renewable biofuel Broadleaf Energy, LLC (US) 2015-08-18 US disclosed
WO-2013158883-A1 RENEWABLE BIOFUEL BROADLEAF ENERGY, LLC. (US) 2013-10-24 WO disclosed
US-20130276359-A1 RENEWABLE BIOFUEL Broadleaf Energy, LLC (US) 2013-10-24 US disclosed
US-8292976-B2 Diesel fuel additive for reducing emissions AFTON CHEMICAL CORPORATION (US) 2012-10-23 US disclosed
CN-101469284-B Diesel cetane number improver composition and diesel containing the same CHINA PETROLEUM & CHEMICAL 2012-09-12 CN disclosed
US-20120167451-A1 PYROLYSIS OIL BASED FUEL AND METHOD OF PRODUCTION NEW GENERATION BIOFUELS HOLDINGS, INC. (US) 2012-07-05 US disclosed
WO-2012006316-A1 PYROLYSIS OIL BASED FUEL AND METHOD OF PRODUCTION NEW GENERATION BIOFUELS HOLDINGS, INC. (US) 2012-01-12 WO disclosed
US-20110107658-A1 DIESEL FUEL ADDITIVE FOR REDUCING EMISSIONS AFTON CHEMICAL CORPORATION (US) 2011-05-12 US disclosed
WO-2010134679-A2 BICYCLOHEPTANE-BASED COMPOUND, A CETANE NUMBER IMPROVER CONTAINING THE SAME, AND DIESEL FUEL KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-11-25 WO disclosed
US-20100037513-A1 Biofuel Composition and Method of Producing a Biofuel NEW GENERATION BIOFUELS, INC. (US) 2010-02-18 US disclosed
CN-101469284-A Diesel cetane number improver composition and diesel containing the same CHINA PETROCHEMICAL CORP (CN) 2009-07-01 CN disclosed
EP-2010631-A2 BIOFUEL COMPOSITION AND METHOD OF PRODUCING A BIOFUEL New Generation Biofuels, Inc. (US) 2009-01-07 EP disclosed
WO-2007127059-A2 BIOFUEL COMPOSITION AND METHOD OF PRODUCING A BIOFUEL NEW GENERATION BIOFUELS, INC. (US) 2007-11-08 WO disclosed
US-5314511-A Fuel additives ARCO CHEMICAL TECHNOLOGY, L.P. (US) 1994-05-24 US disclosed