SCHEMBL22083082

SCHEMBL22083082

C=C(C)C(=O)OCCCc1cc(-c2ccc(C3CCC(CCCCC)CC3)cc2CC)cc(CCCOC(=O)C(=C)C)c1OC(=O)C(=C)CO

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33

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
SCHEMBL22083083 0.93 TSHR (0.34) TSHR
SCHEMBL22431916 0.90 TSHR (0.35) TSHR
SCHEMBL20171682 0.89 TSHR (0.33) TSHR
SCHEMBL17070487 0.89 TSHR (0.34) TSHR
SCHEMBL20171770 0.89 TSHR (0.32) TSHR
SCHEMBL20285997 0.88 TSHR (0.37) TSHR
SCHEMBL22083075 0.87 TSHR (0.31) TSHR
SCHEMBL20286007 0.87 TSHR (0.38) TSHR
SCHEMBL22665948 0.87 TSHR (0.32) TSHR
SCHEMBL22083090 0.86 TSHR (0.35) TSHR

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
WO-2020116380-A1 COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT JNC株式会社 2020-06-11 WO disclosed