Ethyl Pyrophosphate

Ethyl Pyrophosphate

SCHEMBL4576196

CCOP(=O)(OCC)OP(=O)(OCC)OCC.[Ag]

nearest known ligand 0.71

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Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.71
TP53 P04637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PPARD Q03181 2/20 0.44
CYP3A4 P08684 1/20 0.38
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
ACHE P22303 1/20 0.36

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
Ethyl Pyrophosphate SCHEMBL150611 0.97 TSHR (0.75) TSHRTP53TDP1PPARDCYP3A4
Ethyl Pyrophosphate SCHEMBL3783609 0.97 TSHR (0.75) TSHRTP53TDP1PPARDCYP3A4
SCHEMBL5097811 0.94 TSHR (0.71) TSHRTP53TDP1PPARDCYP3A4
Ethyl Pyrophosphate SCHEMBL11245608 0.91 TSHR (0.67) TSHRTP53TDP1PPARDCYP3A4
Ethyl Pyrophosphate SCHEMBL28865792 0.86 TSHR (0.60) TSHRTP53TDP1PPARDMEN1
SCHEMBL11337637 0.86 TSHR (0.60) TSHRTP53TDP1PPARDCYP3A4
Ethyl Pyrophosphate SCHEMBL9287468 0.84 TSHR (0.57) TSHRTP53TDP1PPARDMEN1
Triethyl Phosphate SCHEMBL1332591 0.83 TSHR (1.00) TSHRTP53TDP1PPARDCYP3A4
Triethyl Phosphate SCHEMBL27822049 0.83 TSHR (1.00) TSHRTP53TDP1PPARDCYP3A4
Triethyl Phosphate SCHEMBL28023664 0.83 TSHR (1.00) TSHRTP53TDP1PPARDCYP3A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008066251-A1 SELF DEFENSIVE RING SHIM HYUN SEUNG (KR) 2008-06-05 WO disclosed