SCHEMBL2244433

SCHEMBL2244433

CCP(=O)([O-])CC(C)CO.CCP(=O)([O-])CC(C)CO.CCP(=O)([O-])CC(C)CO.CCP(=O)([O-])CC(C)CO.[Ti+4]

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 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
SCHEMBL2409016 0.78 GABBR2 (0.31)
SCHEMBL2511727 0.77 TRPM8 (0.38)
SCHEMBL2171868 0.73 TSHR (0.39) TSHR
SCHEMBL2407046 0.72 CA1 (0.41) TSHR
SCHEMBL18245670 0.72 TRPM8 (0.38)
SCHEMBL29156036 0.72 TRPM8 (0.38)
SCHEMBL2244430 0.71 TSHR (0.37) TSHR
SCHEMBL2694918 0.71 TSHR (0.39) TSHR
SCHEMBL753508 0.69 TSHR (0.33) TSHR
SCHEMBL2403997 0.68 SMN1; SMN2 (0.32) TSHR

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 4 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
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-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

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-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 965/4885
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 557/4885

“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.