SCHEMBL9705820

SCHEMBL9705820

C=C(C)C(=O)OCC(CO)(COC(=O)C(=C)C)C(C)OC

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
ALDH1A1 P00352 2/20 0.36
THRB P10828 1/20 0.36
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL49067 0.83 TSHR (0.48) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL7647367 0.81 TSHR (0.43) TSHRALDH1A1THRB
SCHEMBL3376993 0.81 TSHR (0.43) TSHRALDH1A1THRB
SCHEMBL35547 0.79 TSHR (0.52) TSHRALDH1A1THRBPOLBAPEX1
Methacrylic Acid SCHEMBL9704882 0.79 TSHR (0.34) TSHRALDH1A1
SCHEMBL4910096 0.78 TSHR (0.41) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL16149527 0.76 TSHR (0.42) TSHRALDH1A1THRBTDP1
SCHEMBL3805422 0.76 TSHR (0.42) TSHRALDH1A1THRB
SCHEMBL6753256 0.75 TSHR (0.44) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL2989767 0.75 TSHR (0.47) TSHRALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0222059-B1 IMPROVED RADIATION-HARDENABLE DILUENTS HENKEL CORPORATION (a Delaware corp.) (US) 1992-07-08 EP claimed