Ethyl Hydrogen Phosphonate

Ethyl Hydrogen Phosphonate

SCHEMBL28780296

C=C(C)C(N)=O.CCO[PH](=O)O

nearest known ligand 0.52

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Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
ALOX15 P16050 1/20 0.36
THRB P10828 1/20 0.35
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
TSHR P16473 2/20 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
Methacrylic Acid SCHEMBL914926 0.84 THRB (0.36) TDP1THRBALDH1A1LMNAHSD17B10
Ethyl Hydrogen Phosphonate SCHEMBL9520699 0.81 ALOX15 (0.42) TDP1ALOX15ALDH1A1LMNAHSD17B10
SCHEMBL20637550 0.79 TDP1 (0.60) TDP1ALOX15ALDH1A1LMNAHSD17B10
Ethyl Hydrogen Phosphonate SCHEMBL29607576 0.79 ALDH1A1 (0.39) TDP1ALOX15ALDH1A1LMNAHSD17B10
Phosphonic Acid SCHEMBL20637548 0.78 TDP1 (0.75) TDP1ALOX15ALDH1A1LMNAHSD17B10
Ethyl Hydrogen Phosphonate SCHEMBL28723084 0.78
Phosphonic Acid SCHEMBL1274170 0.78 TDP1 (0.75) TDP1ALOX15ALDH1A1LMNAHSD17B10
Ethyl Hydrogen Phosphonate SCHEMBL28925 0.78
Ethyl Hydrogen Phosphonate SCHEMBL29833476 0.78 ALDH1A1 (0.35) ALOX15ALDH1A1LMNAHSD17B10MGAM
Ether SCHEMBL11248398 0.77 TDP1 (0.63) TDP1ALOX15THRBALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101589070-B composition and dental material KURARAY MEDICAL INC. (JP) 2011-12-14 CN disclosed
CN-101663336-A Polymerizable monomer, polymerizable composition and dental material KURARAY MEDICAL INC (JP) 2010-03-03 CN disclosed
CN-101636420-A Polymerizable monomer, polymerizable composition and dental material KURARAY MEDICAL INC (JP) 2010-01-27 CN disclosed
CN-101595139-A Polymerizable monomer-containing composition KURARAY MEDICAL INC (JP) 2009-12-02 CN disclosed
CN-101595138-A Polymerizable monomer-containing composition KURARAY MEDICAL INC (JP) 2009-12-02 CN disclosed
CN-101589070-A Composition and dental material KURARAY MEDICAL INC (JP) 2009-11-25 CN disclosed