SCHEMBL3955840

SCHEMBL3955840

POC(CCCC1CCCCC1)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
SIGMAR1 Q99720 3/20 0.38
EPHX1 P07099 1/20 0.35
METAP1 P53582 1/20 0.33
HPGD P15428 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
SCHEMBL3957635 0.98 CYP1A2 (0.38) CYP1A2SIGMAR1EPHX1METAP1
SCHEMBL3953470 0.89 METAP1 (0.38) CYP1A2SIGMAR1EPHX1METAP1HPGD
SCHEMBL3951655 0.86 METAP1 (0.35) CYP1A2METAP1
SCHEMBL8955325 0.77 CYP1A2 (0.37) CYP1A2SIGMAR1EPHX1METAP1HPGD
SCHEMBL8955108 0.77 CYP1A2 (0.37) CYP1A2SIGMAR1EPHX1METAP1HPGD
SCHEMBL8955150 0.77 CYP1A2 (0.37) CYP1A2SIGMAR1EPHX1METAP1HPGD
SCHEMBL3950673 0.76 EPHX1 (0.33) CYP1A2SIGMAR1EPHX1
SCHEMBL8955122 0.75 CYP1A2 (0.34) CYP1A2SIGMAR1EPHX1METAP1
SCHEMBL196993 0.75 CYP1A2 (0.45) CYP1A2SIGMAR1EPHX1METAP1HPGD
SCHEMBL3956778 0.74 EPHX1 (0.30) EPHX1

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