SCHEMBL7562586

SCHEMBL7562586

C=C(C)C(=O)OCC(F)(F)C(F)(F)CO

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
THRB P10828 1/20 0.40
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.30
APEX1 P27695 1/20 0.30
HTT P42858 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL246606 0.92 TSHR (0.48) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL14208609 0.89 TSHR (0.40) TSHRTHRBALDH1A1
SCHEMBL1888838 0.89 TSHR (0.40) TSHRTHRBALDH1A1
SCHEMBL1887907 0.87 TSHR (0.39) TSHRTHRBALDH1A1
SCHEMBL1884652 0.87 TSHR (0.39) TSHRTHRBALDH1A1
SCHEMBL14208681 0.87 TSHR (0.39) TSHRTHRBALDH1A1
SCHEMBL18031805 0.86 TSHR (0.44) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL15435748 0.85 THRB (0.44) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL36589 0.84 TSHR (0.45) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL246414 0.84 TSHR (0.45) TSHRTHRBALDH1A1POLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0963398-B1 ORGANIC/INORGANIC COMPOSITES WITH LOW HYDROXYL GROUP CONTENT, METHOD FOR THEIR PRODUCTION AND APPLICATION INST NEUE MAT GEMEIN GMBH (DE) 2002-08-07 EP disclosed
US-6303730-B1 NONHYDROLYTIC CONDENSATION OF CHLOROSILANES WITH POLYMERIZABLE GROUPS AND OPTIONALLY FLUORINATED GROUPS, WITH THE HELP OF A CONDENSATION AGENT AND THERMAL AND/OR PHOTOCHEMICAL POLYMERIZATION OF THE OBTAINED CONDENSATION PRODUCT INSTITUT FUR NEUE MATERIALIEN GEMEINNUTZIGE GMBH (DE) 2001-10-16 US disclosed