Octane

Octane

SCHEMBL3365134

CCCCCCCC.CCO[PH](=O)O

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 3/20 0.43
LPAR1 Q92633 2/20 0.43
LPAR2 Q9HBW0 2/20 0.43
TSHR P16473 5/20 0.42
THRB P10828 1/20 0.42
CES2 O00748 3/20 0.40
CES1 P23141 3/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PPARG P37231 4/20 0.39
PPARD Q03181 4/20 0.39
PPARA Q07869 4/20 0.39
GPR84 Q9NQS5 3/20 0.39
HDAC11 Q96DB2 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39

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
Dodecane SCHEMBL3981737 1.00 LPAR3 (0.43) LPAR3LPAR1LPAR2TSHRTHRB
Hexadecylamine SCHEMBL10784959 0.89 DNM1 (0.54) LPAR3LPAR1LPAR2TSHRALDH1A1
Octadecylamine SCHEMBL10785443 0.89 DNM1 (0.54) LPAR3LPAR1LPAR2TSHRALDH1A1
Tetradecylamine SCHEMBL10780157 0.89 DNM1 (0.54) LPAR3LPAR1LPAR2TSHRALDH1A1
Ethyl Hydrogen Phosphonate SCHEMBL26482 0.86 ALDH1A1 (0.32) ALDH1A1LMNAHSD17B10
Ethyl Hydrogen Phosphonate SCHEMBL29833476 0.86 ALDH1A1 (0.35) TSHRALDH1A1LMNAHSD17B10ALOX15
Ethyl Hydrogen Phosphonate SCHEMBL28925 0.86
Ethyl Hydrogen Phosphonate SCHEMBL9746213 0.85 EPHX1 (0.58) LPAR3LPAR2
SCHEMBL466159 0.85 LPAR3 (0.50) LPAR3LPAR1LPAR2TSHRTHRB
SCHEMBL16583633 0.85 LPAR3 (0.50) LPAR3LPAR1LPAR2TSHRTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581688-B1 ARAMID FILAMENT YARN PROVIDED WITH A CONDUCTIVE FINISH TEIJIN ARAMID BV (NL) 2010-08-04 EP disclosed
US-7438975-B2 Aramid filament yarn provided with a conductive finish TEIJIN ARAMID B.V. (NL) 2008-10-21 US disclosed
US-20060105168-A1 Aramid filament yarn provided with a conductive finish TEIJIN TWARON B.V. (NL) 2006-05-18 US disclosed
EP-1581688-A1 ARAMID FILAMENT YARN PROVIDED WITH A CONDUCTIVE FINISH Teijin Twaron B.V. (NL) 2005-10-05 EP disclosed
WO-2004061196-A1 ARAMID FILAMENT YARN PROVIDED WITH A CONDUCTIVE FINISH TEIJIN TWARON B.V. (NL) 2004-07-22 WO disclosed
EP-1435407-A1 Aramid filament yarn provided with a conductive finish Teijin Twaron B.V. (NL) 2004-07-07 EP disclosed