SCHEMBL3902813

SCHEMBL3902813

CC(C)OP(=O)(OCC#N)OC(C)C

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSA P10619 1/20 0.41
ACHE P22303 1/20 0.41
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL17877994 0.82 CTSA (0.39) CTSAACHEKDM4EALDH1A1POLB
SCHEMBL14189792 0.79 CTSA (0.33) CTSAACHE
SCHEMBL9568403 0.79 CTSA (0.38) CTSAACHE
SCHEMBL25370472 0.79 CTSA (0.38) CTSAACHE
SCHEMBL11327509 0.78 ACHE (0.46) CTSAACHEKDM4EALDH1A1POLB
SCHEMBL6645670 0.78 TSHR (0.38) ACHEALDH1A1
SCHEMBL6426028 0.75 TSHR (0.32) ACHE
SCHEMBL7616328 0.75 TSHR (0.32) ACHE
SCHEMBL11274810 0.74 ACHE (0.46) CTSAACHEKDM4EALDH1A1POLB
SCHEMBL10787734 0.74 CTSA (0.43) CTSAACHEKDM4EALDH1A1POLB

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 8 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-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
EP-0430129-A2 Novel phenylethylene derivatives, processes for preparing the same and intermediates therefor TANABE SEIYAKU CO., LTD. (JP) 1991-06-05 EP disclosed