Hexane

Hexane

SCHEMBL9722743

CCCCC.CCCCCC.[C]

nearest known ligand 0.78

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Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.78
LMNA P02545 3/20 0.78
THRB P10828 1/20 0.70
SLC22A1 O15245 3/20 0.50
SLC22A2 O15244 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
DNM1 Q05193 5/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HSD17B10 Q99714 1/20 0.47

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 SCHEMBL2146002 0.94
Hexane SCHEMBL245879 0.94 TSHR (0.88) TSHRLMNATHRBSLC22A1SLC22A2
Hexadecane SCHEMBL15324162 0.89 TSHR (0.89) TSHRLMNATHRBSLC22A1DNM1
Heptane SCHEMBL8360976 0.89 TSHR (0.89) TSHRLMNATHRBSLC22A1DNM1
Heptane SCHEMBL1169629 0.89
Heptane SCHEMBL4756107 0.89 TSHR (0.89) TSHRLMNATHRBSLC22A1DNM1
Hexane SCHEMBL7045760 0.89 TSHR (0.78) TSHRLMNATHRBSLC22A1SLC22A2
Tetradecane SCHEMBL7856354 0.89 TSHR (0.89) TSHRLMNATHRBSLC22A1DNM1
Octane SCHEMBL845402 0.89 TSHR (0.89) TSHRLMNATHRBSLC22A1DNM1
Decane SCHEMBL9468904 0.89 TSHR (0.89) TSHRLMNATHRBSLC22A1DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5164076-A Desulfurization, hydrocarbon conversion UOP (US) 1992-11-17 US disclosed