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SCHEMBL21115557

SCHEMBL21115557

C=C(C)C(=O)OCCCc1cc(-c2ccc(-c3ccc(C4CCC(CCCCC)CC4)cc3)cc2)cc(CCCOC(=O)C(=C)C)c1OCCC(CC)(CO)CO

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.33
▸ CYP2C9 P11712 1/20 0.31
▸ CNR1 P21554 4/20 0.31
▸ CNR2 P34972 4/20 0.31
▸ P2RY14 Q15391 1/20 0.31
▸ RAB9A P51151 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 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
SCHEMBL22540620 0.95 TSHR (0.33) TSHRCYP2C9CNR1CNR2P2RY14
SCHEMBL22540672 0.95 TSHR (0.31) TSHR
SCHEMBL22540678 0.94 CNR1 (0.30) CNR1CNR2
SCHEMBL18645449 0.94 TSHR (0.30) TSHR
SCHEMBL21231967 0.93 TSHR (0.31) TSHR
SCHEMBL21115977 0.93 TSHR (0.31) TSHR
SCHEMBL21115785 0.93 TSHR (0.31) TSHR
SCHEMBL22540586 0.93 IDO1 (0.30) —
SCHEMBL21098032 0.92 FFAR4 (0.30) —
SCHEMBL22665930 0.91 TSHR (0.31) 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 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