Diethyl Hydrogen Phosphate

Diethyl Hydrogen Phosphate

SCHEMBL625440

CCCCC(N)(CCC)CCC.CCOP(=O)(O)OCC

nearest known ligand 0.48

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Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FDPS P14324 5/20 0.48
SMPD1 P17405 4/20 0.42
S1PR1 P21453 4/20 0.37
S1PR3 Q99500 4/20 0.37
CYP3A4 P08684 1/20 0.36
LPAR3 Q9UBY5 3/20 0.36
LPAR1 Q92633 2/20 0.36
LPAR2 Q9HBW0 2/20 0.36
GGPS1 O95749 2/20 0.36
S1PR4 O95977 3/20 0.36
S1PR5 Q9H228 3/20 0.36
S1PR2 O95136 2/20 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
Diethyl Hydrogen Phosphate SCHEMBL855448 0.96 FDPS (0.52) FDPSSMPD1S1PR1S1PR3LPAR3
Diethyl Hydrogen Phosphate SCHEMBL625868 0.93 FDPS (0.52) FDPSSMPD1GGPS1
SCHEMBL2228657 0.84 FDPS (0.50) FDPSSMPD1S1PR1CYP3A4LPAR3
Phosphoric Acid SCHEMBL12816061 0.80 FDPS (0.64) FDPSSMPD1LPAR3LPAR1GGPS1
SCHEMBL241994 0.79 FDPS (0.53) FDPSSMPD1LPAR3LPAR1GGPS1
Diethyl Hydrogen Phosphate SCHEMBL19712619 0.77 TSHR (0.40) FDPSSMPD1S1PR1S1PR3LPAR3
Phosphoric Acid SCHEMBL8911229 0.77 FDPS (0.63) FDPSSMPD1LPAR3LPAR1GGPS1
Decane SCHEMBL27282709 0.76 LPAR3 (0.58) FDPSSMPD1LPAR3LPAR1LPAR2
Pentadecane SCHEMBL28094824 0.76 LPAR3 (0.58) FDPSSMPD1LPAR3LPAR1LPAR2
SCHEMBL3643521 0.76 FDPS (0.42) FDPSSMPD1S1PR1S1PR3S1PR4

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871924-B2 Regioselectively substituted cellulose esters produced in a tetraalkylammonium alkylphosphate ionic liquid process and products produced therefrom EASTMAN CHEMICAL COMPANY (US) 2014-10-28 US claimed
US-20120121830-A1 REGIOSELECTIVELY SUBSTITUTED CELLULOSE ESTERS PRODUCED IN A TETRAALKYLAMMONIUM ALKYLPHOSPHATE IONIC LIQUID PROCESS AND PRODUCTS PRODUCED THEREFROM EASTMAN CHEMICAL COMPANY (US) 2012-05-17 US claimed
EP-2419454-A1 CELLULOSE SOLUTIONS COMPRISING TETRAALKYLAMMONIUM ALKYLPHOSPHATE AND PRODUCTS PRODUCED THEREFROM Eastman Chemical Company (US) 2012-02-22 EP claimed
US-20120041080-A1 CELLULOSE SOLUTIONS COMPRISING TETRAALKYLAMMONIUM ALKYLPHOSPHATE AND PRODUCTS PRODUCED THEREFROM EASTMAN CHEMICAL COMPANY (US) 2012-02-16 US claimed
US-8067488-B2 Cellulose solutions comprising tetraalkylammonium alkylphosphate and products produced therefrom EASTMAN CHEMICAL COMPANY (US) 2011-11-29 US claimed
US-20100305249-A1 CELLULOSE SOLUTIONS COMPRISING TETRAALKYLAMMONIUM ALKYLPHOSPHATE AND PRODUCTS PRODUCED THEREFROM EASTMAN CHEMICAL COMPANY (US) 2010-12-02 US claimed
WO-2010120269-A1 CELLULOSE SOLUTIONS COMPRISING TETRAALKYLAMMONIUM ALKYLPHOSPHATE AND PRODUCTS PRODUCED THEREFROM EASTMAN CHEMICAL COMPANY (US) 2010-10-21 WO claimed
US-9926384-B2 Regioselectively substituted cellulose esters produced in a tetraalkylammonium alkylphosphate ionic liquid process and products produced therefrom EASTMAN CHEMICAL COMPANY (US) 2018-03-27 US disclosed
EP-3216806-A1 REGIOSELECTIVELY SUBSTITUTED CELLULOSE ESTERS PRODUCED IN A TETRAALKYLAMMONIUM ALKYLPHOSPHATE IONIC LIQUID PROCESS AND PRODUCTS PRODUCED THEREFROM Eastman Chemical Company (US) 2017-09-13 EP disclosed
US-8901054-B2 Cellulose and cellulose ether solutions and use thereof SE TYLOSE GMBH & CO., KG (DE) 2014-12-02 US disclosed
US-20140343271-A1 REGIOSELECTIVELY SUBSTITUTED CELLULOSE ESTERS PRODUCED IN A TETRAALKYLAMMONIUM ALKYLPHOSPHATE IONIC LIQUID PROCESS AND PRODUCTS PRODUCED THEREFROM EASTMAN CHEMICAL COMPANY (US) 2014-11-20 US disclosed
US-8871924-B2 Regioselectively substituted cellulose esters produced in a tetraalkylammonium alkylphosphate ionic liquid process and products produced therefrom EASTMAN CHEMICAL COMPANY (US) 2014-10-28 US disclosed
US-20140171352-A1 CELLULOSE AND CELLULOSE ETHER SOLUTIONS AND USE THEREOF SE TYLOSE GMBH & CO. KG (DE) 2014-06-19 US disclosed
EP-2419453-A1 REGIOSELECTIVELY SUBSTITUTED CELLULOSE ESTERS PRODUCED IN A TETRAALKYLAMMONIUM ALKYLPHOSPHATE IONIC LIQUID PROCESS AND PRODUCTS PRODUCED THEREFROM Eastman Chemical Company (US) 2012-02-22 EP disclosed
US-20120041080-A1 CELLULOSE SOLUTIONS COMPRISING TETRAALKYLAMMONIUM ALKYLPHOSPHATE AND PRODUCTS PRODUCED THEREFROM EASTMAN CHEMICAL COMPANY (US) 2012-02-16 US disclosed
US-8067488-B2 Cellulose solutions comprising tetraalkylammonium alkylphosphate and products produced therefrom EASTMAN CHEMICAL COMPANY (US) 2011-11-29 US disclosed
US-20100305249-A1 CELLULOSE SOLUTIONS COMPRISING TETRAALKYLAMMONIUM ALKYLPHOSPHATE AND PRODUCTS PRODUCED THEREFROM EASTMAN CHEMICAL COMPANY (US) 2010-12-02 US disclosed
WO-2010120268-A1 REGIOSELECTIVELY SUBSTITUTED CELLULOSE ESTERS PRODUCED IN A TETRAALKYLAMMONIUM ALKYLPHOSPHATE IONIC LIQUID PROCESS AND PRODUCTS PRODUCED THEREFROM EASTMAN CHEMICAL COMPANY (US) 2010-10-21 WO disclosed
WO-2010120269-A1 CELLULOSE SOLUTIONS COMPRISING TETRAALKYLAMMONIUM ALKYLPHOSPHATE AND PRODUCTS PRODUCED THEREFROM EASTMAN CHEMICAL COMPANY (US) 2010-10-21 WO disclosed
US-20100267942-A1 REGIOSELECTIVELY SUBSTITUTED CELLULOSE ESTERS PRODUCED IN A TETRAALKYLAMMONIUM ALKYLPHOSPHATE IONIC LIQUID PROCESS AND PRODUCTS PRODUCED THEREFROM EASTMAN CHEMICAL COMPANY (US) 2010-10-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120041080-A1 CELLULOSE SOLUTIONS COMPRISING TETRAALKYLAMMONIUM ALKYLPHOSPHATE AND PRODUCTS PRODUCED THEREFROM AGPS, THEM6, PCTP FDPS 1618/4885SMPD1 771/4885S1PR1 3624/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.