SCHEMBL2409016

SCHEMBL2409016

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

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 2/20 0.31
GABBR1 Q9UBS5 2/20 0.31
GABRR1 P24046 1/20 0.30

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
SCHEMBL2244433 0.78 TSHR (0.36)
SCHEMBL2511727 0.77 TRPM8 (0.38)
SCHEMBL18245670 0.72 TRPM8 (0.38)
SCHEMBL29156036 0.72 TRPM8 (0.38)
SCHEMBL2355639 0.71 GABBR2 (0.45) GABBR2GABBR1GABRR1
Hydrochloric Acid SCHEMBL2407944 0.70 GABBR2 (0.43) GABBR2GABBR1GABRR1
SCHEMBL2409014 0.70 GABBR2 (0.43) GABBR2GABBR1GABRR1
SCHEMBL753508 0.69 TSHR (0.33)
SCHEMBL2407046 0.68 CA1 (0.41)
SCHEMBL6615334 0.67

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-9035088-B2 Method for producing mono-aminofunctionalized dialkylphosphinic acids and esters and salts thereof by means of acrylnitriles and use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2015-05-19 US disclosed
US-8604232-B2 Method for producing monoamino-functionalised dialkylphosphinite acids esters and salts and use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2013-12-10 US disclosed
US-20110213078-A1 Method for Producing Mono-Aminofunctionalized Dialkylphosphinic Acids and Esters and Salts Thereof by Means of Acrylnitriles and Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-09-01 US disclosed
US-20110213079-A1 Method for Producing Monoamino-Functionalised Dialkylphosphinite Acids Esters and Salts and Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-09-01 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-20110213078-A1 Method for Producing Mono-Aminofunctionalized Dialkylphosphinic Acids and Esters and Salts Thereof by Means of Acrylnitriles and Use Thereof AOC2, AOC3, DAO GABBR2 1586/4885GABBR1 1827/4885GABRR1 2636/4885
US-20110213079-A1 Method for Producing Monoamino-Functionalised Dialkylphosphinite Acids Esters and Salts and Use Thereof DAO, HAO2, AOC1 GABBR2 2363/4885GABBR1 2860/4885GABRR1 3525/4885

“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.