Diethyl Hydrogen Phosphate

Diethyl Hydrogen Phosphate

SCHEMBL11238258

CCOP(=O)([O-])OCC.CC[N+](CC)(CC)CC

nearest known ligand 0.43

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Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
NFKB1 P19838 1/20 0.40
KCNA1 Q09470 1/20 0.40
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.38
PMP22 Q01453 1/20 0.38
ATM Q13315 1/20 0.38
KCNH2 Q12809 2/20 0.37
LMNA P02545 1/20 0.37
ESR1 P03372 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CDC25A P30304 1/20 0.37
AGTR1 P30556 1/20 0.37
AKT1 P31749 1/20 0.37
ADRA1A P35348 1/20 0.37
PPARD Q03181 2/20 0.34

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
SCHEMBL19821343 0.89 TSHR (0.39) TSHRTP53TDP1KCNH2LMNA
Diethyl Hydrogen Phosphate SCHEMBL625439 0.87 LMNA (0.41) TSHRTP53TDP1KCNH2LMNA
Diethyl Hydrogen Phosphate SCHEMBL11415863 0.84 TSHR (0.48) TSHRTP53TDP1KCNH2LMNA
Diethyl Hydrogen Phosphate SCHEMBL10794081 0.84 TSHR (0.53) TSHRTP53TDP1KCNH2LMNA
Diethyl Hydrogen Phosphate SCHEMBL11606295 0.84 TSHR (0.53) TSHRTP53TDP1KCNH2LMNA
Diethyl Hydrogen Phosphate SCHEMBL11752933 0.84 TSHR (0.53) TSHRTP53TDP1KCNH2LMNA
Diethyl Hydrogen Phosphate SCHEMBL11123966 0.84 TSHR (0.53) TSHRTP53TDP1KCNH2LMNA
Diethyl Hydrogen Phosphate SCHEMBL1788510 0.84 TSHR (0.53) TSHRTP53TDP1KCNH2LMNA
Diethyl Hydrogen Phosphate SCHEMBL2636783 0.84 TSHR (0.53) TSHRTP53TDP1KCNH2LMNA
Diethyl Hydrogen Phosphate SCHEMBL11810821 0.84 TSHR (0.53) TSHRTP53TDP1KCNH2LMNA

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
US-4189761-A Non-aqueous electrolytic capacitor electrolyte SPRAGUE ELECTRIC COMPANY (US) 1980-02-19 US claimed
CN-114728992-A Method for producing phosphate compound 斯泰拉化工公司 2022-07-08 CN disclosed
US-4318783-A Process for the preparation of optionally substituted benzaldehyde dialkyl acetals BAYER AKTIENGESELLSCHAFT (DE) 1982-03-09 US disclosed
EP-0012240-B1 PROCESS FOR MANUFACTURING OF OPTIONALLY SUBSTITUTED BENZALDEHYD-DIALKYL ACETALS BAYER AG (DE) 1982-01-20 EP disclosed
EP-0012240-A2 Process for manufacturing of optionally substituted benzaldehyd-dialkyl acetals BAYER AG (DE) 1980-06-25 EP disclosed
US-4189761-A Non-aqueous electrolytic capacitor electrolyte SPRAGUE ELECTRIC COMPANY (US) 1980-02-19 US disclosed