SCHEMBL3886730

SCHEMBL3886730

Nc1cccc([Si](c2cccc(N)c2)(c2cccc(N)c2)c2cccc(N)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.58
CASP1 P29466 1/20 0.58
RECQL P46063 1/20 0.58
ALDH1A1 P00352 4/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA7 P43166 1/20 0.46
MAOA P21397 3/20 0.44
MAP4K4 O95819 1/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
ENPP2 Q13822 1/20 0.41
MEN1 O00255 2/20 0.40
PSIP1 O75475 1/20 0.40

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
SCHEMBL24417192 0.93 MAOA (0.50) CYP3A4CASP1RECQLALDH1A1CA12
SCHEMBL32679731 0.93 MAOA (0.50) CYP3A4CASP1RECQLALDH1A1CA12
SCHEMBL28868689 0.91 CYP3A4 (0.48) CYP3A4CASP1RECQLALDH1A1CA12
SCHEMBL30825584 0.79 CYP3A4 (0.52) CYP3A4CASP1RECQLALDH1A1CA12
SCHEMBL6422988 0.79 CYP3A4 (0.52) CYP3A4CASP1RECQLALDH1A1CA12
SCHEMBL1172290 0.79 CYP3A4 (0.52) CYP3A4CASP1RECQLALDH1A1CA12
SCHEMBL29437105 0.79 CYP3A4 (0.52) CYP3A4CASP1RECQLALDH1A1CA12
SCHEMBL15375289 0.75 CYP3A4 (0.48) CYP3A4CASP1RECQLALDH1A1CA12
SCHEMBL9325323 0.75 CYP3A4 (0.48) CYP3A4CASP1RECQLALDH1A1CA12
SCHEMBL1934399 0.75 CYP3A4 (1.00) CYP3A4CASP1RECQLALDH1A1CA12

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-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