SCHEMBL3961571

SCHEMBL3961571

C=CC[P+]([O-])(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 3/20 0.33
TSHR P16473 3/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 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
Hydrochloric Acid SCHEMBL477383 0.74 HIF1A (0.50) CYP2C19HIF1ASMN1; SMN2ALDH1A1TSHR
Bromide SCHEMBL1072192 0.74 CYP2C19 (0.39) CYP2C19HIF1ASMN1; SMN2ALDH1A1TSHR
Iodide SCHEMBL1054412 0.74 HIF1A (0.50) CYP2C19HIF1ASMN1; SMN2ALDH1A1TSHR
Water SCHEMBL3422252 0.74 HIF1A (0.50) CYP2C19HIF1ASMN1; SMN2ALDH1A1TSHR
Iodide SCHEMBL3754219 0.74 CYP2C19 (0.39) CYP2C19HIF1ASMN1; SMN2ALDH1A1TSHR
Bromide SCHEMBL161017 0.74 HIF1A (0.50) CYP2C19HIF1ASMN1; SMN2ALDH1A1TSHR
Hydrochloric Acid SCHEMBL19510269 0.74 CYP2C19 (0.39) CYP2C19HIF1ASMN1; SMN2ALDH1A1TSHR
Perchlorate SCHEMBL11848103 0.74 HIF1A (0.44) CYP2C19HIF1ASMN1; SMN2ALDH1A1TSHR
Bicarbonate SCHEMBL8972276 0.71 CYP2C19 (0.46) CYP2C19HIF1AALDH1A1TSHRALOX15
Phosphoric Acid SCHEMBL8972516 0.71 HIF1A (0.41) CYP2C19HIF1ASMN1; SMN2ALDH1A1TSHR

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