Octane

Octane

SCHEMBL4197161

CCCCCCCC.CCCCCCCC.CCCCCCCC.CCCCCCCC.S.S

nearest known ligand 0.89

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.89
THRB P10828 1/20 0.89
SLC22A1 O15245 3/20 0.69
ALDH1A1 P00352 3/20 0.64
HSD17B10 Q99714 2/20 0.64
TP53 P04637 1/20 0.64
CYP3A4 P08684 1/20 0.64
ALOX15 P16050 1/20 0.64
ALOX12 P18054 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
HIF1A Q16665 1/20 0.64
SLC22A2 O15244 1/20 0.61
DNM1 Q05193 3/20 0.60
LMNA P02545 2/20 0.60
HTT P42858 1/20 0.60

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 SCHEMBL5676349 1.00 TSHR (0.89) TSHRTHRBSLC22A1ALDH1A1HSD17B10
Hexadecane SCHEMBL11732186 1.00 TSHR (0.89) TSHRTHRBSLC22A1ALDH1A1HSD17B10
Decane SCHEMBL7147766 1.00 TSHR (0.89) TSHRTHRBSLC22A1ALDH1A1HSD17B10
Dodecane SCHEMBL4004868 1.00 TSHR (0.89) TSHRTHRBSLC22A1ALDH1A1HSD17B10
Undecane SCHEMBL20944699 1.00 TSHR (0.89) TSHRTHRBSLC22A1ALDH1A1HSD17B10
Undecane SCHEMBL5678872 1.00 TSHR (0.89) TSHRTHRBSLC22A1ALDH1A1HSD17B10
Tetradecane SCHEMBL5676687 1.00 TSHR (0.89) TSHRTHRBSLC22A1ALDH1A1HSD17B10
Decane SCHEMBL4005469 1.00 TSHR (0.89) TSHRTHRBSLC22A1ALDH1A1HSD17B10
Octane SCHEMBL3882561 1.00 TSHR (0.89) TSHRTHRBSLC22A1ALDH1A1HSD17B10
Heptane SCHEMBL5678844 1.00

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103857403-B Nanoparticles, method of preparation and uses thereof MX佐剂股份公司 2019-04-12 CN disclosed
US-20090101871-A1 SOLID SALT PREPARATION, THE PRODUCTION THEREOF AND ITS USE BAERLOCHER GMBH (DE) 2009-04-23 US disclosed
CN-101248129-A Stabilizer composition based on nitrogen compounds for stabilizing halogenated polymers BAERLOCHER GMBH (DE) 2008-08-20 CN disclosed
CN-101233077-A Solid salt preparation, the production thereof and its use BAERLOCHER GMBH (DE) 2008-07-30 CN disclosed
US-20080087864-A1 Stabilizer Composition for Halogenated Polymers MOBISOL INC. (KR) 2008-04-17 US disclosed
US-7179400-B2 Stabilization composition for halogen-containing polymers BAERLOCHER GMBH (DE) 2007-02-20 US disclosed
US-20060004128-A1 Stabiliser composition for halogen-containing polymers BAERLOCHER GMBH 2006-01-05 US disclosed
US-20050288414-A1 Stabilisation composition for halogen-containing polymers BAERLOCHER GMBH 2005-12-29 US disclosed
US-20050192401-A1 Aid and method for processing thermoplastic polymer compositions BAERLOCHER GMBH 2005-09-01 US disclosed