SCHEMBL3889282

SCHEMBL3889282

CC(C)c1[c]c(C(C)C)cc(C(C)C)c1.[LiH]

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
FABP3 P05413 2/20 0.33
FABP4 P15090 2/20 0.33
FABP5 Q01469 1/20 0.32
LMNA P02545 1/20 0.31
TRPA1 O75762 1/20 0.30
PTGS1 P23219 1/20 0.30
CACNA1C Q13936 1/20 0.30

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
SCHEMBL145914 0.97 GABRA1 (0.36) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL3900603 0.94 GABRA1 (0.34) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL3888431 0.94 GABRA1 (0.34) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL28673342 0.85 GABRA1 (0.30) GABRA1GABRB2
SCHEMBL15067345 0.84 GABRA1 (0.32) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL19411917 0.82 LMNA (0.32) GABRA1GABRB2FABP3FABP4LMNA
SCHEMBL27507940 0.80 GABRA1 (0.30) GABRA1GABRB2
SCHEMBL5050254 0.79
SCHEMBL3691761 0.77 CYP1A2 (0.31)
SCHEMBL28414081 0.75 GABRA1 (0.43) GABRA1GABRB2FABP3FABP4FABP5

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 10 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
WO-2005087901-A2 FUEL ADDITIVE COMPOSITION HAVING ANTIKNOCK PROPERTIES INNOSPEC LIMITED (GB) 2005-09-22 WO 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