Hexane

Hexane

SCHEMBL8978398

CCC=C1CC1.CCCCCC

nearest known ligand 0.37

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Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
THRB P10828 1/20 0.37
SLC22A1 O15245 3/20 0.36
SLC22A2 O15244 1/20 0.36
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
FAAH O00519 1/20 0.32
MGLL Q99685 1/20 0.32
DNM1 Q05193 5/20 0.32
HTT P42858 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL4433992 0.87 TSHR (0.35) TSHRALDH1A1
SCHEMBL1071492 0.83 TSHR (0.61) TSHRALDH1A1FAAHLMNA
SCHEMBL9388073 0.83 TSHR (0.61) TSHRALDH1A1FAAHLMNA
SCHEMBL1276703 0.82 TSHR (0.58) TSHRALDH1A1
SCHEMBL258172 0.81
SCHEMBL1797486 0.79 TSHR (0.44) TSHRTHRBSLC22A1ALDH1A1TP53
SCHEMBL15618384 0.79 TSHR (0.44) TSHRTHRBSLC22A1ALDH1A1TP53
SCHEMBL15618662 0.79 TSHR (0.44) TSHRTHRBSLC22A1ALDH1A1TP53
SCHEMBL14915686 0.79 TSHR (0.44) TSHRTHRBSLC22A1ALDH1A1TP53
SCHEMBL21300 0.79 TSHR (0.44) TSHRTHRBSLC22A1ALDH1A1TP53

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-5486415-A HEAT SEALING PACKAGES WITH GOOD TRANSPARENCY, BLOCKING RESISTANCE AND SOLVENT RESISTANCE SUMITOMO CHEMICAL CO., LTD. (JP) 1996-01-23 US disclosed