SCHEMBL1037005

SCHEMBL1037005

CCP(=O)(O)CCC(=O)OCCO

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.41
GABBR2 O75899 1/20 0.38
GABBR1 Q9UBS5 1/20 0.38
DGKA P23743 1/20 0.37
TSHR P16473 2/20 0.36
ADRA2A P08913 1/20 0.35
ADRA1A P35348 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PPARD Q03181 2/20 0.34
MAPT P10636 1/20 0.34
BLM P54132 1/20 0.34
POLB P06746 1/20 0.34
ACHE P22303 1/20 0.33
ALOX15 P16050 1/20 0.33
DNM1 Q05193 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 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
SCHEMBL2352361 0.88 GABBR2 (0.39) MGLLGABBR2GABBR1DGKAACHE
SCHEMBL1038517 0.87 MGLL (0.43) MGLLDGKATSHRADRA2AADRA1A
SCHEMBL1036029 0.86 ACHE (0.41) GABBR2GABBR1DGKAACHE
SCHEMBL1036795 0.84 MGLL (0.48) MGLLGABBR2GABBR1DGKAACHE
SCHEMBL4004473 0.81 MGLL (0.39) MGLLGABBR2GABBR1DGKATSHR
SCHEMBL2173985 0.80 MGLL (0.40) MGLLDGKATSHRADRA2AADRA1A
SCHEMBL2479531 0.79 DGKA (0.42) GABBR2GABBR1DGKAADRA2AADRA1A
Ethylene Glycol SCHEMBL5407450 0.79 MGLL (0.38) MGLLGABBR2GABBR1DGKATSHR
SCHEMBL2174627 0.79 MGLL (0.39) MGLLDGKAADRA2AADRA1ASMN1; SMN2
SCHEMBL258535 0.78 THRB (0.49) GABBR2GABBR1DGKATSHRADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1832596-B1 Compounds of mono-carboxyl functionalised dialkylphosphine acids and other components CLARIANT FINANCE BVI LTD (VG) 2011-01-26 EP claimed
US-20070210288-A1 Mixtures composed of monocarboxy-functionalized dialkylphosphinic esters and of further components CLARIANT INTERNATIONAL LTD 2007-09-13 US claimed
EP-1832596-A1 Compounds of mono-carboxyl functionalised dialkylphosphine acids and other components CLARIANT INTERNATIONAL LTD. (CH) 2007-09-12 EP claimed
US-8664418-B2 Method for producing dialkylphosphinic acids and esters and salts thereof by means of acrylic acid derivatives and use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2014-03-04 US disclosed
US-20110213052-A1 Method for Producing Dialkylphosphinic Acids and Esters and Salts Thereof by Means of Acrylic Acid Derivatives and Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-09-01 US disclosed
EP-2352740-A1 METHOD FOR PRODUCING DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ACRYLIC ACID DERIVATIVES AND USE THEREOF Clariant Finance (BVI) Limited (VG) 2011-08-10 EP disclosed
EP-1832596-B1 Compounds of mono-carboxyl functionalised dialkylphosphine acids and other components CLARIANT FINANCE BVI LTD (VG) 2011-01-26 EP disclosed
WO-2010051893-A1 METHOD FOR PRODUCING DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ACRYLIC ACID DERIVATIVES AND USE THEREOF CLARIANT INTERNATIONAL LTD (CH) 2010-05-14 WO disclosed
US-7485745-B2 Mixtures composed of monocarboxy-functionalized dialkylphosphinic esters and of further components CLARIANT INTERNATIONAL LTD. (CH) 2009-02-03 US disclosed
US-20070210288-A1 Mixtures composed of monocarboxy-functionalized dialkylphosphinic esters and of further components CLARIANT INTERNATIONAL LTD 2007-09-13 US disclosed
EP-1832596-A1 Compounds of mono-carboxyl functionalised dialkylphosphine acids and other components CLARIANT INTERNATIONAL LTD. (CH) 2007-09-12 EP 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-20110213052-A1 Method for Producing Dialkylphosphinic Acids and Esters and Salts Thereof by Means of Acrylic Acid Derivatives and Use Thereof ACSL3, HAO2, AOC3 MGLL 35/4885GABBR2 1729/4885GABBR1 2192/4885
US-20070210288-A1 Mixtures composed of monocarboxy-functionalized dialkylphosphinic esters and of further components ALKBH3, FFAR3, EBP MGLL 95/4885GABBR2 343/4885GABBR1 653/4885

“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.