SCHEMBL21098567

SCHEMBL21098567

C=C(C)C(=O)OCCCc1cc(-c2ccc(-c3ccc(-c4ccc(C)cc4)cc3)c(CC)c2)cc(CCCOC(=O)C(=C)C)c1OCCC(CC)(CO)CO

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
TSHR P16473 2/20 0.30
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
SCHEMBL21097855 0.98 IDO1 (0.32) POLBAPEX1HTTTDP1CA1
SCHEMBL21097802 0.98 IDO1 (0.32) POLBAPEX1HTTTDP1CA1
SCHEMBL21098250 0.95 POLB (0.34) POLBAPEX1HTTTDP1CA1
SCHEMBL21098573 0.94 TSHR (0.32) POLBAPEX1HTTTDP1CA1
SCHEMBL21098568 0.93 TSHR (0.33) POLBAPEX1HTTTDP1CA1
SCHEMBL21097851 0.92 IDO1 (0.33) POLBAPEX1HTTTDP1CA1
SCHEMBL21097803 0.92 IDO1 (0.33) POLBAPEX1HTTTDP1CA1
SCHEMBL20288237 0.92 TSHR (0.33) POLBAPEX1HTTTDP1CA1
SCHEMBL21097804 0.92 TSHR (0.33) POLBAPEX1HTTTDP1CA1
SCHEMBL17070526 0.91 POLB (0.31) POLBAPEX1HTTTDP1TSHR

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-11072742-B2 Liquid-crystalline media having homeotropic alignment MERCK PATENT GMBH (DE) 2021-07-27 US disclosed
US-20190185754-A1 LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2019-06-20 US disclosed