SCHEMBL3901972

SCHEMBL3901972

[K]CC([K])(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 4/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TAAR1 Q96RJ0 1/20 0.37
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 1/20 0.36
MAPK1 P28482 1/20 0.35
KIF11 P52732 4/20 0.34
HIF1A Q16665 1/20 0.33

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
SCHEMBL7751653 0.80 KCNN4 (0.41) KCNN4TSHRALDH1A1TAAR1CYP2C19
SCHEMBL297878 0.76 KCNN4 (0.47) KCNN4TSHRALDH1A1TAAR1CYP2C19
SCHEMBL8976569 0.67 CYP2C19 (0.46) ALDH1A1TAAR1CYP2C19CYP1A2CYP2C9
SCHEMBL11816645 0.65 KCNN4 (0.38) KCNN4TSHRALDH1A1TAAR1CYP2C19
SCHEMBL8210946 0.65 KCNN4 (0.43) KCNN4TSHRALDH1A1TAAR1CYP2C19
SCHEMBL1243336 0.65 MAPK1 (0.50) KCNN4TSHRALDH1A1TAAR1CYP2C19
SCHEMBL25200051 0.63 CYP2C9 (0.54) KCNN4TAAR1CYP2C19CYP1A2CYP2C9
SCHEMBL8982011 0.63 KCNN4 (0.47) KCNN4TSHRALDH1A1TAAR1CYP2C19
SCHEMBL7206964 0.63 KCNN4 (0.47) KCNN4TSHRALDH1A1TAAR1CYP2C19
SCHEMBL1059898 0.63 KCNN4 (0.48) KCNN4TSHRALDH1A1TAAR1CYP2C19

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
US-7572303-B2 A symmetrical dialkyl carbonate, a metal, borong, silicon, or group 7 compound, a hydrogen or hydrocarbon-based fuel, an oxidizer, and a metallic cocatalyst; minimized hydrolysis; improved combustion and storage stability OCTANE INTERNATIONAL, LTD. (US) 2009-08-11 US disclosed
EP-0954558-B1 FUEL COMPOSITIONS EXHIBITING IMPROVED FUEL STABILITY ORR WILLIAM C (US) 2006-06-14 EP disclosed
US-20050044778-A1 Fuel compositions employing catalyst combustion structure OCTANE INTERNATIONAL, LTD. 2005-03-03 US disclosed
US-20040237384-A1 Fuel compositions exhibiting improved fuel stability OCTANE INTERNATIONAL, LTD. 2004-12-02 US disclosed
US-6652608-B1 Fuel compositions exhibiting improved fuel stability OCTANE INTERNATIONAL, LTD. 2003-11-25 US disclosed
EP-1051461-A2 FUEL COMPOSITIONS EMPLOYING CATALYST COMBUSTION STRUCTURE ORR, William C. (US) 2000-11-15 EP disclosed
WO-1999066009-A2 FUEL COMPOSITIONS EMPLOYING CATALYST COMBUSTION STRUCTURE ORR WILLIAM C (US) 1999-12-23 WO disclosed
EP-0954558-A1 FUEL COMPOSITIONS EXHIBITING IMPROVED FUEL STABILITY ORR, William C. (US) 1999-11-10 EP disclosed
WO-1998026028-A1 FUEL COMPOSITIONS EXHIBITING IMPROVED FUEL STABILITY ORR WILLIAM C (US) 1998-06-18 WO disclosed