SCHEMBL21254347

SCHEMBL21254347

C=C(C)C(=O)OCCOc1cc(C(=O)OCCOC)ccc1-c1ccc(-c2ccc(OC(=O)C(=C)C)cc2)cc1CC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ MAPT P10636 3/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ ELANE P08246 1/20 0.35
▸ TSHR P16473 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SCN1A P35498 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ SCN2A Q99250 1/20 0.35
▸ SCN3A Q9NY46 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ RAD52 P43351 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34

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
SCHEMBL17485689 0.96 TDP1 (0.39) POLBAPEX1HTTTDP1MAPT
SCHEMBL23919397 0.94 POLB (0.37) POLBAPEX1HTTTDP1MAPT
SCHEMBL22381392 0.93 TDP1 (0.36) POLBAPEX1HTTTDP1MAPT
SCHEMBL24446251 0.93 POLB (0.36) POLBAPEX1HTTTDP1MAPT
SCHEMBL20032596 0.92 TDP1 (0.36) POLBAPEX1HTTTDP1MAPT
SCHEMBL22592364 0.91 POLB (0.39) POLBAPEX1HTTTDP1MAPT
SCHEMBL21693481 0.91 POLB (0.40) POLBAPEX1HTTTDP1MAPT
SCHEMBL24158065 0.91 TDP1 (0.35) POLBAPEX1HTTTDP1MAPT
SCHEMBL21254298 0.90 POLB (0.41) POLBAPEX1HTTTDP1MAPT
SCHEMBL23544524 0.89 TDP1 (0.34) POLBAPEX1HTTTDP1MAPT

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 9 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-4306615-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2024-01-17 — — EP disclosed
WO-2023208801-A1 LIQUID-CRYSTAL MEDIUM COMPRISING POLYMERIZABLE COMPOUNDS MERCK PATENT GMBH (DE) 2023-11-02 — — WO disclosed
EP-3551723-B1 ADDITIVES FOR LIQUID CRYSTAL MIXTURES MERCK PATENT GMBH (DE) 2023-09-20 — — 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-3985085-A2 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2022-04-20 — — EP disclosed
EP-3387089-B1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2019-10-02 — — EP disclosed
EP-3246374-B1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2019-08-14 — — EP disclosed
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