Heptane

Heptane

SCHEMBL9711158

CCCCCC.CCCCCCC.CO

nearest known ligand 0.80

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Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.80
THRB P10828 1/20 0.80
LMNA P02545 3/20 0.64
ALDH1A1 P00352 3/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
HSD17B10 Q99714 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.57
DNM1 Q05193 6/20 0.53
SLC22A1 O15245 1/20 0.53

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
Pentadecane SCHEMBL4621690 1.00 TSHR (0.80) TSHRTHRBLMNAALDH1A1MEN1
Methyl Alcohol SCHEMBL28159858 1.00 TSHR (0.80) TSHRTHRBLMNAALDH1A1MEN1
Heptane SCHEMBL11042651 1.00 TSHR (0.80) TSHRTHRBLMNAALDH1A1MEN1
Octane SCHEMBL176091 1.00 TSHR (0.80) TSHRTHRBLMNAALDH1A1MEN1
Heptane SCHEMBL595662 1.00
Dodecane SCHEMBL27595012 1.00 TSHR (0.80) TSHRTHRBLMNAALDH1A1MEN1
Decane SCHEMBL23142599 1.00 TSHR (0.80) TSHRTHRBLMNAALDH1A1MEN1
Heptane SCHEMBL10816058 1.00 TSHR (0.80) TSHRTHRBLMNAALDH1A1MEN1
Decane SCHEMBL4337216 1.00 TSHR (0.80) TSHRTHRBLMNAALDH1A1MEN1
Hexadecane SCHEMBL1701006 1.00 TSHR (0.80) TSHRTHRBLMNAALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5117040-A Crystallization YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1992-05-26 US disclosed
US-5089655-A Recrystallization from mixture of methanol and aliphatic hydrocarbon YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1992-02-18 US disclosed