SCHEMBL16628478

SCHEMBL16628478

C=C(C)C(=O)OCCCS(=O)(=O)[O-].[Rb+]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.53
THRB P10828 1/20 0.46
POLB P06746 2/20 0.44
APEX1 P27695 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 5/20 0.36
BBOX1 O75936 2/20 0.34
CA2 P00918 1/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GMNN O75496 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
MAPK1 P28482 1/20 0.32
THPO P40225 1/20 0.32
HBB P68871 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
SCHEMBL23607561 0.98 TSHR (0.55) TSHRTHRBPOLBAPEX1HTT
SCHEMBL16628613 0.96 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL16628435 0.96 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL345585 0.96 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
Potassium Ion SCHEMBL379532 0.96 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
Lithium Ion SCHEMBL16628565 0.96 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL18141701 0.95 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL18141162 0.93 TSHR (0.59) TSHRTHRBPOLBAPEX1HTT
Methacrylic Acid SCHEMBL18065079 0.93 TSHR (0.50) TSHRTHRBPOLBAPEX1HTT
SCHEMBL18139287 0.91 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180163056-A1 HYDROPHILIC CURABLE COMPOSITIONS MITSUI CHEMICALS, INC. (JP) 2018-06-14 US disclosed
US-20180036995-A1 HYDROPHILIC MONOLAYER FILM WITH OPTICAL FUNCTIONALITY AND STACK OF THE SAME MITSUI CHEMICALS, INC. (JP) 2018-02-08 US disclosed
EP-3270192-A1 HYDROPHILIC SINGLE-LAYER FILM HAVING OPTICAL FUNCTIONALITY, AND LAMINATE THEREOF Mitsui Chemicals, Inc. (JP) 2018-01-17 EP disclosed
EP-3081578-A1 COMPOSITION FOR HYDROPHILIC CURED PRODUCT Mitsui Chemicals, Inc. (JP) 2016-10-19 EP disclosed
US-20150126682-A1 HYDROPHILIC MODIFIED ACRYLIC RESIN FILM MITSUI CHEMICALS, INC. (JP) 2015-05-07 US disclosed
EP-2860215-A1 MODIFIED HYDROPHILIC ACRYLIC RESIN FILM Mitsui Chemicals, Inc. (JP) 2015-04-15 EP disclosed