SCHEMBL22540586

SCHEMBL22540586

C=C(C)C(=O)OCCCc1cc(-c2ccc(-c3ccc(C4CCC(CCCCC)CC4)cc3)cc2C2CC2)cc(CCCOC(=O)C(=C)C)c1OCCC(CC)(CO)CO

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.30

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
SCHEMBL21064936 0.96 P2RY14 (0.30) IDO1
SCHEMBL21097821 0.96 P2RY14 (0.30) IDO1
SCHEMBL18645449 0.94 TSHR (0.30)
SCHEMBL21231967 0.94 TSHR (0.31)
SCHEMBL21232397 0.93 S1PR1 (0.31)
SCHEMBL21115557 0.93 TSHR (0.33)
SCHEMBL21098032 0.92 FFAR4 (0.30)
SCHEMBL22540672 0.92 TSHR (0.31)
SCHEMBL21232086 0.92 S1PR1 (0.31)
SCHEMBL22665930 0.92 TSHR (0.31)

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
EP-3502209-B1 LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2020-10-14 EP disclosed