SCHEMBL27787698

SCHEMBL27787698

OCCOCCC(O)(O)O

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
MAPK1 P28482 1/20 0.59
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ALDH1A1 P00352 1/20 0.41
THRB P10828 1/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL3510739 0.78 TSHR (0.53) TSHRMAPK1MEN1KMT2AALDH1A1
Triethylene Glycol SCHEMBL17394669 0.77 MEN1 (0.92) TSHRMAPK1MEN1KMT2AALDH1A1
Di(Hydroxyethyl)Ether SCHEMBL2410410 0.77 TSHR (1.00) TSHRMAPK1MEN1KMT2AALDH1A1
Di(Hydroxyethyl)Ether SCHEMBL1462 0.77
SCHEMBL7919973 0.74 MEN1 (0.61) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL331950 0.74 TSHR (0.56) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL1148915 0.74 TSHR (0.56) TSHRMAPK1MEN1KMT2AALDH1A1
Di(Hydroxyethyl)Ether SCHEMBL4438332 0.73 TSHR (0.91) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL4092706 0.73 MEN1 (1.00) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL5135405 0.73 MEN1 (1.00) TSHRMAPK1MEN1KMT2AALDH1A1

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
CN-101759970-A Hydrolysis resistant plastification polylactic acid composition and thin film thereof TORAY FIBER RES INST CN CO LTD 2010-06-30 CN disclosed