SCHEMBL2173156

SCHEMBL2173156

CCCP(=O)(O)CC(C)CO

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
TRPM8 Q7Z2W7 4/20 0.33
FDPS P14324 2/20 0.33
GABBR2 O75899 1/20 0.33
GABRR1 P24046 1/20 0.33
GABBR1 Q9UBS5 1/20 0.33
GCLC P48506 1/20 0.33
METAP1 P53582 1/20 0.32
LPAR3 Q9UBY5 3/20 0.32
LPAR2 Q9HBW0 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
SCHEMBL2172020 0.88 GABBR2 (0.48) TSHRTRPM8FDPSGABBR2GABRR1
SCHEMBL2171868 0.82 TSHR (0.39) TSHRFDPSGABBR2GABBR1METAP1
SCHEMBL2349996 0.81 GABBR2 (0.41) FDPSGABBR2GABRR1GABBR1GCLC
SCHEMBL2244430 0.80 TSHR (0.37) TSHRFDPSGABBR2GABBR1
SCHEMBL2513023 0.79 TRPM8 (0.46) TRPM8FDPSGABBR2GABRR1GABBR1
SCHEMBL169272 0.78 METAP1 (0.33) TRPM8FDPSGABBR2GABRR1GABBR1
SCHEMBL2171097 0.77 TSHR (0.36) TSHRTRPM8
Propylene Glycol SCHEMBL5485220 0.77 TDP1 (0.48) TSHRTRPM8FDPSGABBR2GABRR1
SCHEMBL1357719 0.77 FDPS (0.36) TSHRTRPM8FDPSGABBR2GABRR1
SCHEMBL22710654 0.75 GABBR2 (0.50) FDPSGABBR2GABRR1GABBR1LPAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8614267-B2 Method for producing mono-hydroxyfunctionalized dialkylphosphinic acids and esters and salts thereof by means of allyl alcohols and use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2013-12-24 US disclosed
EP-2352735-B1 METHOD FOR PRODUCING MONO-HYDROXYFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ALLYL ALCOHOLS AND USE THEREOF CLARIANT FINANCE BVI LTD (VG) 2013-12-11 EP disclosed
US-8604108-B2 Method for producing mono-hydroxyfunctionalized dialkylphosphinic acids and esters and salts thereof by means of acroleins and use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2013-12-10 US disclosed
US-20110224339-A1 Method for Producing Mono-Hydroxyfunctionalized Dialkylphosphinic Acids and Esters and Salts Thereof By Means of Acroleins and Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-09-15 US disclosed
US-20110213062-A1 Method for Producing Mono-Hydroxyfunctionalized Dialkyphosphinic Acids and Esters and Salts Thereof and Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-09-01 US disclosed
US-20110201733-A1 Method for Producing Mono-Hydroxyfunctionalized Dialkylphosphinic Acids and Esters and Salts Thereof By Means of Allyl Alcohols and Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-08-18 US disclosed
EP-2352735-A1 METHOD FOR PRODUCING MONO-HYDROXYFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ALLYL ALCOHOLS AND USE THEREOF Clariant International Ltd. (CH) 2011-08-10 EP disclosed
EP-2346886-A1 METHOD FOR PRODUCING MONO-HYDROXYFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF AND USE THEREOF Clariant Finance (BVI) Limited (VG) 2011-07-27 EP disclosed
WO-2010051889-A1 METHOD FOR PRODUCING MONO-HYDROXYFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF AND USE THEREOF CLARIANT INTERNATIONAL LTD (CH) 2010-05-14 WO disclosed
WO-2010051884-A1 METHOD FOR PRODUCING MONO-HYDROXYFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ALLYL ALCOHOLS AND USE THEREOF CLARIANT INTERNATIONAL LTD (CH) 2010-05-14 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 (3 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-20110213062-A1 Method for Producing Mono-Hydroxyfunctionalized Dialkyphosphinic Acids and Esters and Salts Thereof and Use Thereof HAO2, HACL2, ACSL3 TSHR 1746/4885TRPM8 4473/4885FDPS 1721/4885
US-20110224339-A1 Method for Producing Mono-Hydroxyfunctionalized Dialkylphosphinic Acids and Esters and Salts Thereof By Means of Acroleins and Use Thereof HAO2, AOC3, AOC2 TSHR 965/4885TRPM8 4195/4885FDPS 1778/4885
US-20110201733-A1 Method for Producing Mono-Hydroxyfunctionalized Dialkylphosphinic Acids and Esters and Salts Thereof By Means of Allyl Alcohols and Use Thereof HAO2, ALOX5, AOC3 TSHR 557/4885TRPM8 4236/4885FDPS 2485/4885

“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.