Octane

Octane

SCHEMBL8071050

CCCCCCCC.CCCCOC(C)=O

nearest known ligand 0.90

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.90
NAAA Q02083 1/20 0.58
TSHR P16473 5/20 0.57
ATM Q13315 1/20 0.54
EPHX1 P07099 1/20 0.54
DGKA P23743 1/20 0.52
FAAH O00519 2/20 0.52
CES2 O00748 1/20 0.50
HPGD P15428 1/20 0.50
HCAR2 Q8TDS4 1/20 0.48
RAD52 P43351 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
LMNA P02545 2/20 0.48
HSD17B10 Q99714 1/20 0.48

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
Nonane SCHEMBL27679811 1.00 ALDH1A1 (0.90) ALDH1A1NAAATSHRATMEPHX1
Decane SCHEMBL15441024 1.00 ALDH1A1 (0.90) ALDH1A1NAAATSHRATMEPHX1
Acetic Acid Butyl Ester SCHEMBL7070991 1.00 ALDH1A1 (0.90) ALDH1A1NAAATSHRATMEPHX1
Acetic Acid Butyl Ester SCHEMBL1577486 0.97 ALDH1A1 (0.95) ALDH1A1NAAATSHRATMEPHX1
Dodecylacetate SCHEMBL5185225 0.95 ALDH1A1 (0.81) ALDH1A1NAAATSHREPHX1DGKA
Nonylacetate SCHEMBL309051 0.95 ALDH1A1 (0.81) ALDH1A1NAAATSHREPHX1DGKA
Octyl Acetate SCHEMBL4344544 0.95 ALDH1A1 (0.81) ALDH1A1NAAATSHREPHX1DGKA
SCHEMBL21044757 0.95 ALDH1A1 (0.81) ALDH1A1NAAATSHREPHX1DGKA
Decylacetate SCHEMBL155855 0.95 ALDH1A1 (0.81) ALDH1A1NAAATSHREPHX1DGKA
Nonylacetate SCHEMBL10804375 0.95 ALDH1A1 (0.81) ALDH1A1NAAATSHREPHX1DGKA

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
WO-2013115746-A1 A PRODUCTION METHOD FOR (EFFERVESCENT) PHARMACEUTICAL COMPOSITIONS COMPRISING AN ALPHA - GLUCOSIDASE INHIBITOR (MIGLITOL) AND METFORMIN BILGIC MAHMUT (TR) 2013-08-08 WO claimed
EP-1023420-A1 HEAT SEALABLE ADHESIVE COATING COMPOSITION AND PROCESS SUN CHEMICAL CORPORATION (US) 2000-08-02 EP disclosed
WO-1999019416-A1 HEAT SEALABLE ADHESIVE COATING COMPOSITION AND PROCESS SUN CHEMICAL CORPORATION (US) 1999-04-22 WO disclosed
US-5877259-A GRAFT COPOLYMER OF AN A-B-A TERBLOCK COPOLYMERIC RUBBER, OLEFIN COPOLYMER AND OLEFIN TERPOLYMER. SUN CHEMICAL CORPORATION (US) 1999-03-02 US disclosed