SCHEMBL1359413

SCHEMBL1359413

CC(O)CP(=O)(O)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 2/20 0.36
GABBR1 Q9UBS5 2/20 0.36
GABRR1 P24046 1/20 0.36
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
ANPEP P15144 4/20 0.32
LAP3 P28838 4/20 0.32
ERAP1 Q9NZ08 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL20841435 0.80 ANPEP (0.39) GABBR2GABBR1GABRR1ANPEPLAP3
SCHEMBL16333883 0.78 ANPEP (0.37) GABBR2GABBR1GABRR1ANPEPLAP3
SCHEMBL1357583 0.77 TSHR (0.41) GABBR2GABBR1GABRR1TSHRLAP3
SCHEMBL28865310 0.77 GABBR2 (0.39) GABBR2GABBR1GABRR1TSHRTDP1
SCHEMBL1533820 0.77
SCHEMBL27963724 0.77
SCHEMBL8762129 0.74
SCHEMBL2171194 0.74 TSHR (0.35) TSHRTDP1ANPEPLAP3ERAP1
SCHEMBL11871518 0.73 TSHR (0.39) GABBR2GABBR1GABRR1TSHRTDP1
SCHEMBL2486684 0.73 ALDH1A1 (0.39) TDP1ANPEPLAP3ERAP1ALDH1A1

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-9068119-B2 Method for producing mono-hydroxy-functionalized dialkylphosphinic acids, esters and salts using a vinyl ester of a carobxylic acid and the use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2015-06-30 US disclosed
US-8987490-B2 Method for the production of monohydroxy-functionalized dialkylphosphinic acids, esters, and salts using ethylene oxide, and use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2015-03-24 US disclosed
EP-2373668-B1 METHOD FOR PRODUCING MONO-HYDROXY-FUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS, ESTERS AND SALTS USING A VINYL ESTER OF A CARBOXYLIC ACID AND THE USE THEREOF CLARIANT FINANCE BVI LTD (VG) 2013-09-11 EP disclosed
US-20110281983-A1 Method for the Production of Monohydroxy-Functionalized Dialkylphosphinic Acids, Esters, and Salts Using Ethylene Oxide, and Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-11-17 US disclosed
EP-2379574-A1 METHOD FOR THE PRODUCTION OF MONOHYDROXY-FUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS, ESTERS, AND SALTS USING ETHYLENE OXIDE, AND USE THEREOF Clariant International Ltd. (CH) 2011-10-26 EP disclosed
EP-2373668-A1 METHOD FOR PRODUCING MONO-HYDROXY-FUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS, ESTERS AND SALTS USING A VINYL ESTER OF A CARBOXYLIC ACID AND THE USE THEREOF Clariant International Ltd. (CH) 2011-10-12 EP disclosed
US-20110237722-A1 Method for Producing Mono-Hydroxy-Functionalized Dialkylphosphinic Acids, Esters and Salts Using a Vinyl Ester of a Carobxylic Acid and The Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-09-29 US disclosed
WO-2010069417-A1 METHOD FOR THE PRODUCTION OF MONOHYDROXY-FUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS, ESTERS, AND SALTS USING ETHYLENE OXIDE, AND USE THEREOF CLARIANT INTERNATIONAL LTD (CH) 2010-06-24 WO disclosed
WO-2010063343-A1 METHOD FOR PRODUCING MONO-HYDROXY-FUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS, ESTERS AND SALTS USING A VINYL ESTER OF A CARBOXYLIC ACID AND THE USE THEREOF CLARIANT INTERNATIONAL LTD (CH) 2010-06-10 WO 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 (2 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-20110237722-A1 Method for Producing Mono-Hydroxy-Functionalized Dialkylphosphinic Acids, Esters and Salts Using a Vinyl Ester of a Carobxylic Acid and The Use Thereof HAO2, HACL2, HAO1 GABBR2 1026/4885GABBR1 1205/4885GABRR1 3154/4885
US-20110281983-A1 Method for the Production of Monohydroxy-Functionalized Dialkylphosphinic Acids, Esters, and Salts Using Ethylene Oxide, and Use Thereof ACSL3, ACSL1, HACL2 GABBR2 3074/4885GABBR1 3677/4885GABRR1 3632/4885

“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.