SCHEMBL6734896

SCHEMBL6734896

OCCOCCOCCOC=COC=COCCOCCOCCO

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
TSHR P16473 2/20 0.50
MAPK1 P28482 1/20 0.50
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL1122817 1.00 MEN1 (0.55) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL1630024 0.84 TSHR (0.37) MEN1KMT2ATSHRMAPK1ALDH1A1
Ethylene Glycol SCHEMBL27419724 0.81 TSHR (0.35) MEN1KMT2ATSHRMAPK1
SCHEMBL1155428 0.78 MEN1 (0.52) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL9843177 0.78 MEN1 (0.52) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL1155640 0.78 MEN1 (0.52) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL5974292 0.78 MEN1 (0.52) MEN1KMT2ATSHRMAPK1THRB
Tetraethylene Glycol SCHEMBL5612538 0.75 MEN1 (0.55) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL21933071 0.74 TSHR (0.44) MEN1KMT2ATSHRMAPK1ALDH1A1
SCHEMBL3359595 0.74 MEN1 (1.00) MEN1KMT2ATSHRMAPK1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6680118-B2 Radiation curable oligomers containing alkoxylated fluorinated polyols DSM N.V. (NL) 2004-01-20 US disclosed
US-20020182410-A1 Radiation curable oligomers containing alkoxylated fluorinated polyols DSM IP ASSETS B.V. (NL) 2002-12-05 US disclosed