Hexane

Hexane

SCHEMBL11580709

C=CCC.CCC.CCCCCC

nearest known ligand 0.58

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Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.58
ALDH1A1 P00352 3/20 0.56
THRB P10828 1/20 0.47
LMNA P02545 2/20 0.40
FAAH O00519 1/20 0.38
SLC22A1 O15245 2/20 0.37
SLC22A2 O15244 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
DNM1 Q05193 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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 SCHEMBL8891406 0.96 TSHR (0.61) TSHRALDH1A1THRBLMNAFAAH
Octane SCHEMBL11684722 0.93 TSHR (0.67) TSHRALDH1A1THRBLMNAFAAH
Propane SCHEMBL18783169 0.84
SCHEMBL8467311 0.82 TSHR (0.89) TSHRALDH1A1THRBFAAHDNM1
SCHEMBL27601352 0.82 TSHR (0.63) TSHRALDH1A1THRBLMNAFAAH
SCHEMBL9389533 0.82 TSHR (0.89) TSHRALDH1A1THRBFAAHDNM1
SCHEMBL8470469 0.82 TSHR (0.89) TSHRALDH1A1THRBFAAHDNM1
SCHEMBL3405255 0.82 TSHR (0.89) TSHRALDH1A1THRBFAAHDNM1
Butane SCHEMBL15477016 0.81 TSHR (0.53) TSHRALDH1A1
Butane SCHEMBL9121988 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4080396-A ALUMINOSILICATE ZEOLITE AND ANTIMONY OXIDE MOBIL OIL CORPORATION (US) 1978-03-21 US disclosed
US-4080395-A ALUMINOSILICATE ZEOLITE AND ANTIMONY OXIDE MOBIL OIL CORPORATION (US) 1978-03-21 US disclosed
US-4067919-A Selective conversion of cycloparaffins to form para-xylene using an antimony zeolite catalyst MOBIL OIL CORPORATION (US) 1978-01-10 US disclosed
US-4007231-A DISPROPORTIONATION OF TOLUENE, ALUMINOSILICATE ZEOLITE CATALYST MOBIL OIL CORPORATION (US) 1977-02-08 US disclosed