SCHEMBL17760705

SCHEMBL17760705

C=C(C)C(=O)OCC(Br)C(=O)OCCC

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
THRB P10828 1/20 0.44
ALDH1A1 P00352 4/20 0.35
ZDHHC7 Q9NXF8 1/20 0.32
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31

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
SCHEMBL17760696 0.86 TSHR (0.55) TSHRTHRBALDH1A1
SCHEMBL20144633 0.81 TSHR (0.58) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL17760684 0.80 TSHR (0.57) TSHRTHRBALDH1A1ZDHHC7POLB
SCHEMBL17760682 0.79 TSHR (0.52) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL16573 0.79
SCHEMBL21772349 0.79 TSHR (0.69) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL9502238 0.79 TSHR (0.78) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL31065018 0.79 TSHR (0.78) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL5066178 0.77 TSHR (0.53) TSHRTHRBALDH1A1POLBAPEX1
Hydrogen Sulfide SCHEMBL6879353 0.77 TSHR (0.67) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10174159-B2 Functional polymers THE UNIVERSITY OF AKRON 2019-01-08 US disclosed
US-20170335059-A1 FUNCTIONAL POLYMERS THE UNIVERSITY OF AKRON 2017-11-23 US disclosed
WO-2016070175-A1 FUNCTIONAL POLYMERS THE UNIVERSITY OF AKRON (US) 2016-05-06 WO disclosed