SCHEMBL22600374

SCHEMBL22600374

C=CC(=O)Oc1ccc(-c2ccc(OC(=O)C(=C)C)c(F)c2F)cc1F

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.33
PRKCZ Q05513 1/20 0.32
AR P10275 1/20 0.32
TYMS P04818 1/20 0.32
PTGS2 P35354 5/20 0.31
XDH P47989 1/20 0.31
EGFR P00533 1/20 0.31
PTGS1 P23219 3/20 0.30
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30
ERN1 O75460 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
SCHEMBL22600373 1.00 ALOX5 (0.33) ALOX5PRKCZARTYMSPTGS2
SCHEMBL9607893 0.91 TYMS (0.36) ALOX5PRKCZARTYMSPTGS2
SCHEMBL9607891 0.91 AR (0.36) ALOX5PRKCZARPTGS2XDH
SCHEMBL18646524 0.90 ALOX5 (0.41) ALOX5PRKCZARTYMSPTGS2
SCHEMBL17791487 0.89 EGFR (0.32) TYMSEGFRTHRATHRB
SCHEMBL26144195 0.89 AKR1C3 (0.36) PRKCZARPTGS2PTGS1
SCHEMBL18194804 0.89 ERN1 (0.37) ALOX5ARTYMSEGFRTHRA
SCHEMBL22310947 0.88
SCHEMBL21469957 0.87 ERN1 (0.36) ALOX5TYMSEGFRTHRATHRB
SCHEMBL22600378 0.87 TYMS (0.36) TYMSEGFRTHRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4209567-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2023-07-12 EP disclosed
EP-4209566-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2023-07-12 EP disclosed
EP-4209568-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2023-07-12 EP disclosed
US-20200339884-A1 LIQUID CRYSTAL COMPOSITION AND USE THEREOF JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) 2020-10-29 US disclosed