SCHEMBL4910096

SCHEMBL4910096

C=C(C)C(=O)OCC(CO)(CO)C(C)OCCC

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
THRB P10828 1/20 0.39
ALDH1A1 P00352 2/20 0.31
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
SCHEMBL3376993 0.88 TSHR (0.43) TSHRTHRBALDH1A1
Methacrylic Acid SCHEMBL28971892 0.81 TSHR (0.32) TSHR
SCHEMBL2989767 0.80 TSHR (0.47) TSHRTHRBALDH1A1
SCHEMBL7647367 0.79 TSHR (0.43) TSHRTHRBALDH1A1
SCHEMBL9705820 0.78 TSHR (0.46) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL49067 0.78 TSHR (0.48) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL16149527 0.78 TSHR (0.42) TSHRTHRBALDH1A1TDP1
SCHEMBL35547 0.74 TSHR (0.52) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL8851021 0.73 TSHR (0.47) TSHRTHRBALDH1A1TDP1
SCHEMBL8850794 0.73 TSHR (0.50) TSHRTHRBALDH1A1

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
US-20080233305-A1 Method for manufacturing coating film TOPPAN PRINTING CO., LTD. (JP) 2008-09-25 US disclosed