Hexane

Hexane

SCHEMBL4953906

CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCOCC.CCOCC.CCOCC

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.54
THRB P10828 2/20 0.54
LMNA P02545 3/20 0.46
SLC22A1 O15245 2/20 0.41
SLC22A2 O15244 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
OPRM1 P35372 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.39
DNM1 Q05193 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 1/20 0.39

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 SCHEMBL9730168 1.00 TSHR (0.54) TSHRTHRBLMNASLC22A1SLC22A2
Hexane SCHEMBL5320530 1.00 TSHR (0.54) TSHRTHRBLMNASLC22A1SLC22A2
Hexane SCHEMBL11106986 1.00 TSHR (0.54) TSHRTHRBLMNASLC22A1SLC22A2
Hexane SCHEMBL2165324 1.00 TSHR (0.54) TSHRTHRBLMNASLC22A1SLC22A2
Hexane SCHEMBL7375762 1.00 TSHR (0.54) TSHRTHRBLMNASLC22A1SLC22A2
Hexane SCHEMBL4268972 1.00 TSHR (0.54) TSHRTHRBLMNASLC22A1SLC22A2
Hexane SCHEMBL7917492 1.00 TSHR (0.54) TSHRTHRBLMNASLC22A1SLC22A2
Hexane SCHEMBL9254800 1.00 TSHR (0.54) TSHRTHRBLMNASLC22A1SLC22A2
Hexane SCHEMBL14814561 1.00 TSHR (0.54) TSHRTHRBLMNASLC22A1SLC22A2
Hexane SCHEMBL1110546 1.00 TSHR (0.54) TSHRTHRBLMNASLC22A1SLC22A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3581178-B1 COMPOSITION CONTAINING DIHOMO-(GAMMA)-LINOLENIC ACID (DGLA) AS ACTIVE INGREDIENT SUNTORY HOLDINGS LTD (JP) 2023-08-30 EP disclosed
EP-1852114-B1 COMPOSITION CONTAINING DIHOMO-Y-LINOLENIC ACID (DGLA) AS ACTIVE INGREDIENT SUNTORY HOLDINGS LTD (JP) 2019-09-18 EP disclosed
US-10342773-B2 Composition containing dihomo-γ-linolenic acid (DGLA) as the active ingredient SUNTORY HOLDINGS LIMITED (JP) 2019-07-09 US disclosed
US-20180193298-A1 COMPOSITION CONTAINING DIHOMO-GAMMA-LINOLENIC ACID (DGLA) AS THE ACTIVE INGREDIENT SUNTORY HOLDINGS LIMITED (JP) 2018-07-12 US disclosed
US-9943495-B2 Composition containing dihomo-γ-linolenic acid (DGLA) as the active ingredient SUNTORY HOLDINGS LIMITED (JP) 2018-04-17 US disclosed
US-20150182486-A1 COMPOSITION CONTAINING DIHOMO-y-LINOLENIC ACID (DGLA) AS THE ACTIVE INGREDIENT SUNTORY HOLDINGS LIMITED (JP) 2015-07-02 US disclosed
US-9006287-B2 Composition comprising dihomo-γ-linolenic acid (DGLA) as active ingredient SUNTORY HOLDINGS LIMITED (JP) 2015-04-14 US disclosed
US-20080108699-A1 For preventing or treating skin disorders and diseases related to increased mast cell count including allergic dermatitis, such as atopic dermatitis and contact dermatitis, eczema, and UV-derived skin disorders SUNTORY LIMITED (JP) 2008-05-08 US disclosed
EP-1852114-A1 COMPOSITION CONTAINING DIHOMO-(gamma)-LINOLENIC ACID (DGLA) AS THE ACTIVE INGREDIENT SUNTORY LIMITED (JP) 2007-11-07 EP disclosed
US-5183925-A LEUKOTRIENE-B4 DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND THEIR USE AS PHARMACEUTICAL AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 1993-02-02 US disclosed