SCHEMBL3887739

SCHEMBL3887739

CCC(OP(=O)(O)O)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.40
SRC P12931 1/20 0.39
TSHR P16473 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP2C19 P33261 2/20 0.36
PGK1 P00558 1/20 0.36
PGK2 P07205 1/20 0.36
KCNN4 O15554 1/20 0.36
HIF1A Q16665 1/20 0.36
CYP2C9 P11712 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
CFTR P13569 1/20 0.35

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
SCHEMBL3138490 0.86 PTPN1 (0.40) PTPN1SMN1; SMN2POLBSRCTSHR
SCHEMBL28654612 0.82 ALDH1A1 (0.41) PTPN1SMN1; SMN2POLBSRCTSHR
SCHEMBL28665996 0.82 SMPD1 (0.50)
SCHEMBL4381936 0.81 PTPN1 (0.42) PTPN1SMN1; SMN2POLBSRCTSHR
SCHEMBL6664895 0.81 PTPN1 (0.39) PTPN1SMN1; SMN2POLBSRCTSHR
SCHEMBL226554 0.80 SMPD1 (0.53)
SCHEMBL5980446 0.80 SMPD1 (0.53)
SCHEMBL15517831 0.80 SMPD1 (0.53)
SCHEMBL28669505 0.80 SMPD1 (0.53)
SCHEMBL28661089 0.80 SMPD1 (0.53)

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