SCHEMBL8105830

SCHEMBL8105830

C=C(C)C(=O)OCC(OCCOCCOCCOCCOCCOCCOCCOCCO)C(=C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
THRB P10828 1/20 0.41
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL6570550 0.92 THRB (0.40) TSHRTHRB
SCHEMBL17085767 0.81 THRB (0.39) TSHRTHRB
SCHEMBL9356535 0.79 MEN1 (0.39) TSHRMEN1KMT2A
Triethylene Glycol SCHEMBL8433183 0.77 THRB (0.56) TSHRTHRBALDH1A1MEN1KMT2A
SCHEMBL1808894 0.76 THRB (0.49) TSHRTHRBALDH1A1MEN1KMT2A
SCHEMBL2809295 0.75 THRB (0.68) TSHRTHRBALDH1A1MEN1KMT2A
Tetraethylene Glycol SCHEMBL8659912 0.75 THRB (0.68) TSHRTHRBALDH1A1MEN1KMT2A
Di(Hydroxyethyl)Ether SCHEMBL18317889 0.75 THRB (0.68) TSHRTHRBALDH1A1MEN1KMT2A
SCHEMBL629901 0.75 THRB (0.68) TSHRTHRBALDH1A1MEN1KMT2A
SCHEMBL864145 0.75 THRB (0.68) TSHRTHRBALDH1A1MEN1KMT2A

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
JP-2000166966-A ADHESIVE TAPE TO BE STICKED ON SKIN NICHIBAN CO LTD 2000-06-20 JP disclosed