SCHEMBL3955848

SCHEMBL3955848

POCCCC(C1CCCCC1)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.41
CYP2D6 P10635 2/20 0.33
TP53 P04637 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
MLNR O43193 1/20 0.33
ABCB11 O95342 1/20 0.33
EGFR P00533 1/20 0.33
FYN P06241 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
HTR1A P08908 1/20 0.33
CHRM5 P08912 1/20 0.33
ADRA2A P08913 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CHRM1 P11229 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
SCHEMBL3957637 0.98 EPHX1 (0.38) EPHX1CYP2D6TP53MEN1ALDH1A1
SCHEMBL3953478 0.87 EPHX1 (0.44) EPHX1CYP2D6TP53MEN1ALDH1A1
SCHEMBL3951659 0.85 EPHX1 (0.41) EPHX1CYP2D6TP53MEN1ALDH1A1
SCHEMBL1324498 0.76 EPHX1 (0.46) EPHX1CYP2D6TP53MEN1ALDH1A1
Fluoride Ion SCHEMBL11684408 0.74 EPHX1 (0.44) EPHX1CYP2D6TP53MEN1ALDH1A1
SCHEMBL1324545 0.73 EPHX1 (0.42) EPHX1CYP2D6TP53MEN1ALDH1A1
SCHEMBL3950677 0.73 EPHX1 (0.48) EPHX1CYP2D6TP53MEN1ALDH1A1
SCHEMBL1323141 0.72 EPHX1 (0.43) EPHX1CYP2D6TP53MEN1ALDH1A1
SCHEMBL1337268 0.72 EPHX1 (0.43) EPHX1CYP2D6TP53MEN1ALDH1A1
SCHEMBL11730380 0.72 EPHX1 (0.43) EPHX1CYP2D6TP53MEN1ALDH1A1

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