SCHEMBL28815581

SCHEMBL28815581

O=C(O)/C=C(\C=C(\O)C(=O)O)C(=O)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL2932085 0.83 TSHR (0.35) KDM4ETSHR
SCHEMBL2932087 0.83 TSHR (0.35) KDM4ETSHR
SCHEMBL19386132 0.83 TSHR (0.35) KDM4ETSHR
SCHEMBL2932866 0.83 TSHR (0.35) KDM4ETSHR
SCHEMBL28169695 0.76 TSHR (0.41) KDM4ETSHR
SCHEMBL1533836 0.76
SCHEMBL1588 0.76
SCHEMBL1589 0.76
SCHEMBL10339835 0.74 TSHR (0.39) KDM4ETSHR
SCHEMBL2276994 0.71 TSHR (0.38) KDM4ETSHR

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-104321434-A Methods for biosynthesizing 1,3butadiene INVISTA TECH SARL 2015-01-28 CN disclosed