Hexane

Hexane

SCHEMBL8499715

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nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.70
THRB P10828 1/20 0.70
LMNA P02545 3/20 0.60
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 SCHEMBL27308237 0.95 TSHR (0.64) TSHRTHRBLMNASLC22A1SLC22A2
Octane SCHEMBL4459834 0.95 TSHR (0.80) TSHRTHRBLMNASLC22A1DNM1
Decane SCHEMBL8571521 0.95 TSHR (0.80) TSHRTHRBLMNASLC22A1DNM1
Hexane SCHEMBL4401390 0.94
Hexane SCHEMBL10390959 0.94 TSHR (0.78) TSHRTHRBLMNASLC22A1SLC22A2
Hexane SCHEMBL7754327 0.94
Heptane SCHEMBL15875086 0.89 TSHR (0.89) TSHRTHRBLMNASLC22A1DNM1
Hentriacontane SCHEMBL3661625 0.89 TSHR (0.89) TSHRTHRBLMNASLC22A1DNM1
Nonane SCHEMBL7178862 0.89 TSHR (0.89) TSHRTHRBLMNASLC22A1DNM1
Octane SCHEMBL6056456 0.89 TSHR (0.89) TSHRTHRBLMNASLC22A1DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5863418-A CATALYTIC REFORMING OF HYDROCARBON FEEDSTOCK TO AROMATICS IN REACTOR HAVING CARBURIZATION METAL DUSTING RESISTANT SURFACES IN CONTACT WITH REACTANTS CHEVRON CHEMICAL COMPANY (US) 1999-01-26 US disclosed
US-5676821-A CATALYTIC REFORMING OF HYDROCARBONS; PROTECTIVE COATING ON FURNACE CHEVRON CHEMICAL COMPANY (US) 1997-10-14 US disclosed
US-5674376-A COATING STEEL SURFACES OF REACTOR APPARATUS WITH A TIN-CONTAINING PAINT FOR PREVENTION OF CARBURIZATION AND METAL DUSTING UNDER LOW SULFUR CONDITIONS REQUIRED FOR PLATINUM L-ZEOLITE CATALYSTS; NONCOKING; PROTECTIVE COATINGS CHEVRON CHEMICAL COMPANY (US) 1997-10-07 US disclosed