SCHEMBL3898449

SCHEMBL3898449

COc1cccc(O)c1OC.[NaH]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.64
TP53 P04637 2/20 0.64
CYP3A4 P08684 2/20 0.64
KDM4E B2RXH2 1/20 0.64
ALDH1A1 P00352 1/20 0.64
LMNA P02545 1/20 0.64
HPGD P15428 1/20 0.64
ALOX15 P16050 1/20 0.64
ALOX12 P18054 1/20 0.64
MAPK1 P28482 1/20 0.64
HSD17B10 Q99714 1/20 0.64
CA1 P00915 4/20 0.60
CA2 P00918 4/20 0.60
TSHR P16473 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CA12 O43570 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46

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
SCHEMBL186826 0.98 MAPT (0.67) MAPTTP53CYP3A4KDM4EALDH1A1
Hydrochloric Acid SCHEMBL22291108 0.95 TP53 (0.64) MAPTTP53CYP3A4KDM4EALDH1A1
SCHEMBL3889690 0.95 MAPT (0.64) MAPTTP53CYP3A4KDM4EALDH1A1
SCHEMBL3899924 0.95 MAPT (0.64) MAPTTP53CYP3A4KDM4EALDH1A1
Biphenyl SCHEMBL7921600 0.88 CA1 (0.57) MAPTTP53CYP3A4KDM4EALDH1A1
SCHEMBL6536005 0.85 KDM4E (0.57) MAPTTP53CYP3A4KDM4EALDH1A1
SCHEMBL16196318 0.84 TP53 (0.68) MAPTTP53CYP3A4KDM4EALDH1A1
SCHEMBL31666357 0.84 CA1 (0.57) MAPTTP53CYP3A4KDM4EALDH1A1
SCHEMBL8417162 0.83 MAPT (0.50) MAPTTP53CYP3A4KDM4EALDH1A1
2-Methoxyresorcinol SCHEMBL69297 0.83 CA2 (0.61) MAPTTP53CYP3A4KDM4EALDH1A1

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