Decane

Decane

SCHEMBL5077906

CCCCCCCCCC.COCCOC

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.57
THRB P10828 1/20 0.57
LPAR3 Q9UBY5 3/20 0.46
LPAR1 Q92633 2/20 0.46
LPAR2 Q9HBW0 2/20 0.46
FAAH O00519 1/20 0.44
DNM1 Q05193 5/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HSD17B10 Q99714 1/20 0.42
SLC22A1 O15245 1/20 0.42

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
Heptane SCHEMBL16826657 1.00 TSHR (0.57) TSHRTHRBLPAR3LPAR1LPAR2
Hexadecane SCHEMBL5074970 1.00 TSHR (0.57) TSHRTHRBLPAR3LPAR1LPAR2
Hexane SCHEMBL9012745 0.96 TSHR (0.50) TSHRTHRBLPAR3LPAR1LPAR2
Decane SCHEMBL4156143 0.91 THRB (0.54) TSHRTHRBLPAR3LPAR1LPAR2
Octane SCHEMBL7106538 0.91 THRB (0.54) TSHRTHRBLPAR3LPAR1LPAR2
SCHEMBL200477 0.90 THRB (0.53) TSHRTHRBLPAR3LPAR1LPAR2
SCHEMBL13912052 0.90 THRB (0.53) TSHRTHRBLPAR3LPAR1LPAR2
SCHEMBL14578207 0.90 THRB (0.53) TSHRTHRBLPAR3LPAR1LPAR2
SCHEMBL199009 0.90 THRB (0.53) TSHRTHRBLPAR3LPAR1LPAR2
SCHEMBL10436399 0.90 THRB (0.53) TSHRTHRBLPAR3LPAR1LPAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1264859-B1 POLYESTER COMPOSITION, FILMS MADE THEREOF AND PROCESS FOR PRODUCING THE COMPOSITION TORAY INDUSTRIES (JP) 2008-10-29 EP disclosed
US-7060749-B2 Polyester composition, films made thereof and process for producing the composition TORAY INDUSTRIES, INC. (JP) 2006-06-13 US disclosed
US-20030045649-A1 Polyester composition, films made thereof and process for producing the composition TORAY INDUSTRIES, INC. (JP) 2003-03-06 US disclosed
EP-1264859-A1 POLYESTER COMPOSITION, FILMS MADE THEREOF AND PROCESS FOR PRODUCING THE COMPOSITION TORAY INDUSTRIES, INC. (JP) 2002-12-11 EP disclosed
US-4558072-A RUTHENIUM AND MANGENESE COMPOUNDS DISPERSED IN PHOSPHONIUM COMPOUND TEXACO INC. (US) 1985-12-10 US disclosed