Hexane

Hexane

SCHEMBL5017645

CCCCCC.CCCCCC.CCCCCC

nearest known ligand 0.88

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.88
THRB P10828 1/20 0.88
LMNA P02545 3/20 0.75
SLC22A1 O15245 3/20 0.58
SLC22A2 O15244 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
DNM1 Q05193 5/20 0.54
ALDH1A1 P00352 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
HSD17B10 Q99714 1/20 0.54

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
Hexane SCHEMBL9557662 1.00 TSHR (0.88) TSHRTHRBLMNASLC22A1SLC22A2
Hexane SCHEMBL8705498 1.00 TSHR (0.88) TSHRTHRBLMNASLC22A1SLC22A2
Hexane SCHEMBL357364 1.00 TSHR (0.88) TSHRTHRBLMNASLC22A1SLC22A2
Hexane SCHEMBL11650566 1.00 TSHR (0.88) TSHRTHRBLMNASLC22A1SLC22A2
Hexane SCHEMBL399 1.00
Hexane SCHEMBL8151140 1.00 TSHR (0.88) TSHRTHRBLMNASLC22A1SLC22A2
Hexane SCHEMBL9859565 1.00 TSHR (0.88) TSHRTHRBLMNASLC22A1SLC22A2
Tetradecane SCHEMBL25387874 0.94 TSHR (1.00) TSHRTHRBLMNASLC22A1DNM1
Decane SCHEMBL23499900 0.94 TSHR (1.00) TSHRTHRBLMNASLC22A1DNM1
Hexane SCHEMBL23175213 0.94

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101272684-A Methods and compositions for the treatment of neuropathies and related disorders DOV PHARMACEUTICAL INC (US) 2008-09-24 CN claimed
WO-2021126002-A1 PROCESS FOR PRODUCING BRANCHED POLYDIENE PUBLIC JOINT STOCK COMPANY "SIBUR HOLDING" (PJSC "SIBUR HOLDING") (RU) 2021-06-24 WO disclosed
EP-3237468-A1 POLYETHYLENE FOR PIPES Norner Verdandi AS (NO) 2017-11-01 EP disclosed
WO-2016102513-A1 POLYETHYLENE FOR PIPES NORNER VERDANDI AS (NO) 2016-06-30 WO disclosed
WO-2014107106-A1 USE OF THE MOLECULES OF A NOVEL ENDOPHYTIC FILAMENTOUS BACTERIUM AS ANTIOXIDANT AND ANTICANCER PRODUCT UNIVERSITE MOULAY ISMAIL (MA) 2014-07-10 WO disclosed
EP-2718333-A1 METHODS FOR CONTROLLING ETHYLENE COPOLYMER PROPERTIES Nova Chemicals (International) S.A. (CH) 2014-04-16 EP disclosed
WO-2012167347-A1 METHODS FOR CONTROLLING ETHYLENE COPOLYMER PROPERTIES NOVA CHEMICALS (INTERNATIONAL) S.A. (CH) 2012-12-13 WO disclosed
WO-2012097511-A1 DMP-266 BY CYCLISATION LONZA LTD (CH) 2012-07-26 WO disclosed
US-20080293975-A1 Method of Recovering Xanthophyll YAMAHA HATSUDOKI KABUSHIKI KAISHA (JP) 2008-11-27 US disclosed
EP-1852417-A1 METHOD OF RECOVERING XANTHOPHYLL YAMAHA HATSUDOKI KABUSHIKI KAISHA (JP) 2007-11-07 EP disclosed
US-5189106-A Excellent flow characteristics and mechanical properties NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1993-02-23 US disclosed
US-4997586-A Hydrocarbon transmission fluid MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-03-05 US disclosed
US-4956484-A CATALYTIC HYDROGENATION OF PHENYL SILANE COMPOUND USING RANEY NICKEL CATALYSTS INSTITUTO GUIDO DONEGANI S.P.A. (IT) 1990-09-11 US disclosed
US-4912243-A Catalytic hydrogenation of corresponding aromatic compound ISTITUTO GUIDO DONEGANI S.P.A. (IT) 1990-03-27 US disclosed
US-4533700-A MODIFIED WITH AN UNSATURATED ACID OR HYDROGEN, USEFUL IN ADHESIVES AND TRAFFIC PAINTS MITSUI PETROCHEMICAL INDUSTRIES LTD. (JP) 1985-08-06 US disclosed
US-4513130-A A COPOLYMER CONTAINIONG 9,10-DIHYDRODICYCLOPENTADIENE AND OR ITS PERIVATIVES MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1985-04-23 US disclosed
US-4384087-A REACTION OF TRANSITION METAL AND METAL HALIDE COMPOUND, AND TITANIUM TETRAHALIDE PHILLIPS PETROLEUM COMPANY (US) 1983-05-17 US disclosed
US-4363746-A Composition of matter and method of preparing same, catalyst, method of producing the catalyst and polymerization process employing the catalyst PHILLIPS PETROLEUM COMPANY (US) 1982-12-14 US disclosed
US-4325837-A COORDINATION CATALYSTS PHILLIPS PETROLEUM COMPANY (US) 1982-04-20 US disclosed
US-4250082-A PRECIPITATION BY MIXING A RUBBER LATEX, SOLUTION, OR EMULSION WITH A FILLER SUSPENSION, WATER GLASS, AND AN ALUMINUM SALT AT AN ACID PH CHEMISCHE WERKE HULS AKTIENGESELLSCHAFT (DE) 1981-02-10 US disclosed