SCHEMBL16628507

SCHEMBL16628507

C=C(C)C(=O)OCC(COC(=O)C(=C)C)C(=O)OCCCS(=O)(=O)O.[KH]

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
THRB P10828 1/20 0.36
ALDH1A1 P00352 1/20 0.31
CA2 P00918 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
SCHEMBL16628671 0.98 TSHR (0.46) TSHRPOLBAPEX1HTTTDP1
SCHEMBL18141688 0.97 TSHR (0.45) TSHRPOLBAPEX1HTTTDP1
SCHEMBL18139359 0.97 TSHR (0.45) TSHRPOLBAPEX1HTTTDP1
SCHEMBL18139759 0.97 TSHR (0.45) TSHRPOLBAPEX1HTTTDP1
SCHEMBL18140335 0.97 TSHR (0.45) TSHRPOLBAPEX1HTTTDP1
SCHEMBL18139595 0.96 TSHR (0.44) TSHRPOLBAPEX1HTTTDP1
SCHEMBL18139722 0.94 TSHR (0.46) TSHRPOLBAPEX1HTTTDP1
SCHEMBL18141307 0.94 TSHR (0.46) TSHRPOLBAPEX1HTTTDP1
SCHEMBL18141099 0.94 TSHR (0.45) TSHRPOLBAPEX1HTTTDP1
SCHEMBL18139303 0.93 TSHR (0.47) TSHRPOLBAPEX1HTTTDP1

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