SCHEMBL447585

SCHEMBL447585

O=C(O)C(F)(F)C(F)(F)F.[NaH]

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.55
ACLY P53396 2/20 0.42
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 2/20 0.33
TP53 P04637 1/20 0.33
TET2 Q6N021 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
SCHEMBL63977 0.96 THRB (0.58) THRBACLYALDH1A1L3MBTL1TSHR
SCHEMBL8409587 0.93 THRB (0.55) THRBACLYALDH1A1L3MBTL1TSHR
Bromide SCHEMBL7176530 0.93 THRB (0.55) THRBACLYALDH1A1L3MBTL1TSHR
SCHEMBL6843552 0.93 THRB (0.55) THRBACLYALDH1A1L3MBTL1TSHR
SCHEMBL3693057 0.93 THRB (0.55) THRBACLYALDH1A1L3MBTL1TSHR
SCHEMBL621694 0.93 THRB (0.55) THRBACLYALDH1A1L3MBTL1TSHR
SCHEMBL5963066 0.93 THRB (0.55) THRBACLYALDH1A1L3MBTL1TSHR
Fluoride SCHEMBL1898636 0.93 THRB (0.55) THRBACLYALDH1A1L3MBTL1TSHR
Water SCHEMBL22069810 0.93 THRB (0.55) THRBACLYALDH1A1L3MBTL1TSHR
SCHEMBL15750748 0.93 THRB (0.55) THRBACLYALDH1A1L3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025224604-A2 ALKYLPHOSPHONIUM-FUNCTIONALIZED ION EXCHANGE RESINS 3M INNOVATIVE PROPERTIES COMPANY (US) 2025-10-30 WO disclosed
EP-2435446-B1 FLUORINATED SILYLETHYNYL PENTACENE COMPOUNDS AND COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME 3M INNOVATIVE PROPERTIES CO (US) 2016-11-30 EP disclosed
US-20150148308-A1 PEST CONTROL COMPOSITION FOR HARMFUL ARTHROPODS, AND PEST CONTROL METHOD FOR HARMFUL ARTHROPODS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-05-28 US disclosed
EP-2865266-A1 PEST CONTROL COMPOSITION FOR HARMFUL ARTHROPODS, AND PEST CONTROL METHOD FOR HARMFUL ARTHROPODS Sumitomo Chemical Company, Limited (JP) 2015-04-29 EP disclosed
US-8920679-B2 Fluorinated silylethynyl pentacene compounds and compositions and methods of making and using the same 3M INNOVATIVE PROPERTIES CO. (US) 2014-12-30 US disclosed
US-20120061620-A1 Fluorinated Silyethynyl Pentacene Compounds and Compositions and Methods of Making and Using the Same 3M INNOVATIVE PROPERTIES COMPANY 2012-03-15 US disclosed
WO-2010138807-A1 FLUORINATED SILYLETHYNYL PENTACENE COMPOUNDS AND COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME 3M INNOVATIVE PROPERTIES COMPANY (US) 2010-12-02 WO disclosed
US-7279475-B2 Fluorinated di-aryl urea compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-10-09 US disclosed
EP-1549621-A1 FLUORINATED PHENYL-NAPHTHALENYL-UREA COMPOUNDS AS INHIBITORS OF CYTOKINES INVOLVED IN INFLAMMATORY PROCESSES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-07-06 EP disclosed
US-6872726-B2 Fluorinated di-aryl urea compounds BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-03-29 US disclosed
US-20050032797-A1 Fluorinated di-aryl urea compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-10 US disclosed
US-20040077647-A1 Cytokine inhibitors, antiinflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-04-22 US disclosed
WO-2004014870-A1 FLUORINATED PHENYL-NAPHTHALENYL-UREA COMPOUNDS AS INHIBITORS OF CYTOKINES INVOLVED IN INFLAMMATORY PROCESSES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-02-19 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 (4 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-20040077647-A1 Cytokine inhibitors, antiinflammatory agents IL1B, IL1A, TNF THRB 2659/4885ACLY 2535/4885ALDH1A1 252/4885
US-20050032797-A1 Fluorinated di-aryl urea compounds IL1B, MPO, IL1A THRB 2596/4885ACLY 3835/4885ALDH1A1 338/4885
US-20120061620-A1 Fluorinated Silyethynyl Pentacene Compounds and Compositions and Methods of Making and Using the Same PFAS, FLNB, FLNA THRB 4671/4885ACLY 3747/4885ALDH1A1 1699/4885
US-20150148308-A1 PEST CONTROL COMPOSITION FOR HARMFUL ARTHROPODS, AND PEST CONTROL METHOD FOR HARMFUL ARTHROPODS SFXN1, OSR1, PIR THRB 3009/4885ACLY 3685/4885ALDH1A1 2709/4885

“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.