SCHEMBL21115982

SCHEMBL21115982

C=C(C)C(=O)OCCCc1cc(C2CCC(C3CCC(C4CCCCC4)CC3)CC2)cc(CCCOC(=O)C(=C)C)c1OCCC(CC)(CO)CO

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.31
POLB P06746 1/20 0.30
APEX1 P27695 1/20 0.30
HTT P42858 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL21115700 1.00 TSHR (0.31) TSHRPOLBAPEX1HTTTDP1
SCHEMBL21115526 0.94 TSHR (0.32) TSHR
SCHEMBL21097807 0.94 TSHR (0.30) TSHR
SCHEMBL21097791 0.94 TSHR (0.30) TSHR
SCHEMBL21098618 0.93 TSHR (0.34) TSHR
SCHEMBL21115566 0.92 CNR1 (0.33)
SCHEMBL20171723 0.91 TSHR (0.34) TSHR
SCHEMBL20171680 0.91 TSHR (0.34) TSHR
SCHEMBL21115701 0.90 TSHR (0.36) TSHR
SCHEMBL21115552 0.89 POLB (0.31) POLBAPEX1HTTTDP1

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
EP-3502209-B1 LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2020-10-14 EP disclosed
EP-3502209-A1 LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT Merck Patent GmbH (DE) 2019-06-26 EP disclosed