SCHEMBL3889745

SCHEMBL3889745

CC(C)CN(CC(C)C)P(N)(N)=O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
ANPEP P15144 3/20 0.32
LAP3 P28838 2/20 0.32
ERAP1 Q9NZ08 1/20 0.32
PIK3CD O00329 1/20 0.31
TRPM8 Q7Z2W7 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
SCHEMBL9876483 0.75 CA12 (0.37) CA12CA1CA2CA9
SCHEMBL5203885 0.72 CA12 (0.39) CA12CA1CA2CA9
SCHEMBL5392828 0.72 CA12 (0.42) CA12CA1CA2CA9ANPEP
SCHEMBL2206431 0.72 CA12 (0.37) CA12CA1CA2CA9PIK3CD
SCHEMBL9452614 0.72 CA12 (0.37) CA12CA1CA2CA9PIK3CD
SCHEMBL3900480 0.72 ANPEP (0.34) CA12CA1CA2CA9ANPEP
SCHEMBL237154 0.67
Hydrochloric Acid SCHEMBL29179771 0.65 L3MBTL1 (0.32)
SCHEMBL18245272 0.65 CA12 (0.36) CA12CA1CA2CA9
Hydrochloric Acid SCHEMBL30788060 0.65 L3MBTL1 (0.32)

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 7 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