Hexane

Hexane

SCHEMBL7049072

CC(C)(C)O.CCCCCC

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
THRB P10828 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.50
LMNA P02545 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
FDPS P14324 9/20 0.43
GGPS1 O95749 6/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
SLC22A2 O15244 1/20 0.41
SLC22A1 O15245 1/20 0.41

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 SCHEMBL502780 0.96 TSHR (0.61) TSHRTHRBSMN1; SMN2LMNAALDH1A1
Decane SCHEMBL27152672 0.96 TSHR (0.61) TSHRTHRBSMN1; SMN2LMNAALDH1A1
Hexane SCHEMBL28858797 0.93 SMN1; SMN2 (0.53) TSHRTHRBSMN1; SMN2LMNAALDH1A1
Tert-Butanol SCHEMBL11649846 0.92 TSHR (0.58) TSHRTHRBSMN1; SMN2LMNAALDH1A1
Heptane SCHEMBL1588905 0.89 LMNA (0.56) TSHRTHRBSMN1; SMN2LMNAALDH1A1
1-Pentanol SCHEMBL2001508 0.87 SMN1; SMN2 (0.75) TSHRTHRBSMN1; SMN2LMNAALDH1A1
Hexane SCHEMBL9714516 0.85 FAAH (0.48) TSHRTHRBSMN1; SMN2LMNAALDH1A1
Heptane SCHEMBL10336342 0.84 TSHR (0.47) TSHRTHRBLMNAALDH1A1HSD17B10
Octanol SCHEMBL28470883 0.84 LMNA (0.77) TSHRTHRBSMN1; SMN2LMNAALDH1A1
1-Hexanol SCHEMBL10954739 0.84 LMNA (0.77) TSHRTHRBSMN1; SMN2LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115215632-A Fiber-reinforced boron nitride aerogel and preparation method thereof 中国科学院苏州纳米技术与纳米仿生研究所 2022-10-21 CN disclosed
CN-112679325-B Preparation method of longicorn sex pheromone 2, 3-diketone series compounds and derivatives thereof 华南农业大学 2022-09-30 CN disclosed
CN-112679325-A Preparation method of longicorn sex pheromone 2, 3-diketone series compounds and derivatives thereof 华南农业大学 2021-04-20 CN disclosed
EP-3060546-B1 PROCESSES FOR THE PREPARATION OF UNSATURATED ESTERS INT FLAVORS & FRAGRANCES INC (US) 2019-02-13 EP disclosed
EP-3060546-A1 PROCESSES FOR THE PREPARATION OF UNSATURATED ESTERS International Flavors & Fragrances Inc. (US) 2016-08-31 EP disclosed
CN-105658623-A Processes for the preparation of unsaturated esters 国际香料和香精公司 2016-06-08 CN disclosed
WO-2015059696-A1 PROCESSES FOR THE PREPARATION OF UNSATURATED ESTERS AROMOR FLAVORS & FRAGRANCES LTD. (IL) 2015-04-30 WO disclosed
CN-104557543-A Processes for the preparation of unsaturated esters AROMOR FLAVORS AND FRAGRANCES LTD 2015-04-29 CN disclosed
CN-101812379-B Method for preparing biodiesel by autocatalysis by taking germinated oil crop seeds as raw materials UNIV HEBEI TECHNOLOGY 2012-05-30 CN disclosed
CN-101812379-A Method for preparing biodiesel from germinated oil crop seeds serving as raw material through autocatalysis UNIV HEBEI TECHNOLOGY 2010-08-25 CN disclosed
WO-2002102754-A2 PROCESS FOR THE PREPARATION OF 3-HYDROXYPROPANAL ARCO CHEMICAL TECHNOLOGY, L.P. (US) 2002-12-27 WO disclosed
CN-1089330-C Process for preparing 1, 3-propanediol SHELL INT RESEARCH (NL) 2002-08-21 CN disclosed
US-6376724-B1 FROM ETHYLENE OXIDE AND CARBON MONOXIDE; HYDROFORMYLATION ARCO CHEMICAL TECHNOLOGY, L.P. 2002-04-23 US disclosed
US-6376720-B1 REACTING ETHYLENE OXIDE WITH CARBON MONOXIDE AND HYDROGEN ARCO CHEMICAL TECHNOLOGY, L.P. 2002-04-23 US disclosed
US-6323374-B1 CONTACTING ETHYLENE OXIDE WITH CARBON MONOXIDE AND HYDROGEN AT REACTION CONDITIONS IN PRESENCE OF NON-PHOSPHINE-LIGATED COBALT CATALYST AND AMIDE PROMOTER TO FORM 3-HYDROXYPROPANAL ARCO CHEMICAL TECHNOLOGY, L.P. 2001-11-27 US disclosed
CN-1216034-A Process for preparing 1, 3-propanediol SHELL INT RESEARCH (NL) 1999-05-05 CN disclosed
WO-1998050400-A1 METHOD FOR THE ESTERIFICATION OF CARBOHYDRATES INSTITUUT VOOR AGROTECHNOLOGISCH ONDERZOEK (ATO-DLO) (NL) 1998-11-12 WO disclosed
US-4657922-A Anxiolytic 4,5-dihydro-4-oxo-1H-imidazol-2-yl urea derivatives MCNEILAB, INC. (US) 1987-04-14 US disclosed
US-4577045-A Method for the production of anhydrous potassium tert.butoxide DYNAMIT NOBEL AG (DE) 1986-03-18 US disclosed
US-4547570-A REMOVAL OF WATER BY DISTILLATION THE DOW CHEMICAL COMPANY (US) 1985-10-15 US disclosed