SCHEMBL21087449

SCHEMBL21087449

C=C(C)C(=O)OCCOc1cc(OCCOC(O)C(=C)C)cc(-c2ccc(OC(=O)C(=C)C)c(F)c2)c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ RARA P10276 1/20 0.32
▸ RARB P10826 1/20 0.32
▸ FFAR4 Q5NUL3 2/20 0.32
▸ THRB P10828 1/20 0.32
▸ AAK1 Q2M2I8 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CSF3R Q99062 1/20 0.31
▸ FAAH O00519 2/20 0.31

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
SCHEMBL23919400 0.94 POLB (0.33) POLBAPEX1HTTTDP1RARA
SCHEMBL21693411 0.93 POLB (0.32) POLBAPEX1HTTTDP1AAK1
SCHEMBL16559830 0.91 POLB (0.41) POLBAPEX1HTTTDP1RARA
SCHEMBL18558996 0.90 THRB (0.33) POLBAPEX1HTTTDP1THRB
SCHEMBL18773630 0.90 THRB (0.33) POLBAPEX1HTTTDP1THRB
SCHEMBL16559845 0.90 POLB (0.40) POLBAPEX1HTTTDP1RARA
SCHEMBL25795370 0.89 POLB (0.37) POLBAPEX1HTTTDP1RARA
SCHEMBL21254294 0.89 POLB (0.35) POLBAPEX1HTTTDP1RARA
SCHEMBL16559831 0.89 POLB (0.39) POLBAPEX1HTTTDP1RARA
SCHEMBL22360394 0.87 POLB (0.40) POLBAPEX1HTTTDP1FFAR4

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3924447-B1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2024-01-24 — — EP disclosed
EP-4306614-A1 LIQUID-CRYSTALLINE MEDIUM Merck Patent GmbH (DE) 2024-01-17 — — EP disclosed
EP-3755764-B1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2023-05-10 — — EP disclosed
EP-4001378-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2022-05-25 — — EP disclosed
EP-3944011-A1 LIQUID-CRYSTAL DISPLAY Merck Patent GmbH (DE) 2022-01-26 — — EP disclosed
WO-2022002997-A1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2022-01-06 — — WO disclosed
EP-3848436-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2021-07-14 — — EP disclosed
EP-3730591-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2020-10-28 — — EP disclosed
US-20200263091-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2020-08-20 — — US disclosed
US-20190177618-A1 LIQUID CRYSTALLINE MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2019-06-13 — — US disclosed
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