Hexane

Hexane

SCHEMBL1048428

CC(C)C.CCCCCC

nearest known ligand 0.64

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.64
THRB P10828 1/20 0.64
LMNA P02545 3/20 0.55
OPRM1 P35372 1/20 0.53
DNM1 Q05193 6/20 0.47
SLC22A1 O15245 2/20 0.47
SLC22A2 O15244 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.45
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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 SCHEMBL27748725 1.00 TSHR (0.64) TSHRTHRBLMNAOPRM1DNM1
Isobutane SCHEMBL28169778 0.95 TSHR (0.73) TSHRTHRBLMNAOPRM1DNM1
Decane SCHEMBL28143340 0.95 TSHR (0.73) TSHRTHRBLMNAOPRM1DNM1
Hexadecane SCHEMBL28252695 0.95 TSHR (0.73) TSHRTHRBLMNAOPRM1DNM1
Heptane SCHEMBL6157290 0.95 TSHR (0.73) TSHRTHRBLMNAOPRM1DNM1
Octane SCHEMBL1269091 0.91 TSHR (0.67) TSHRTHRBLMNAOPRM1DNM1
Pentane SCHEMBL2984847 0.90
Hexane SCHEMBL23175213 0.89
Hexane SCHEMBL27666906 0.88 TSHR (0.50) TSHRTHRBLMNAOPRM1DNM1
Hexane SCHEMBL28579709 0.86 TSHR (0.58) TSHRTHRBLMNAOPRM1DNM1

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
CN-106536618-A Highly unsaturated multimodal polyisoolefin compositions and methods for making same 阿朗新科新加坡私人有限公司 2017-03-22 CN disclosed
US-8578714-B2 Working-fluid power system for low-temperature rankine cycles LOCKHEED MARTIN CORPORATION (US) 2013-11-12 US disclosed
US-20110011089-A1 Working-Fluid Power System for Low-Temperature Rankine Cycles LOCKHEED MARTIN CORPORATION (US) 2011-01-20 US disclosed
EP-0001830-A2 Particles of expandable polystyrene with improved flame-retardant properties BASF WYANDOTTE CORPORATION (US) 1979-05-16 EP disclosed