SCHEMBL20536870

SCHEMBL20536870

CC1(C)OB(c2ccc(F)cc2C(F)(F)F)OC1(C)C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPL P06858 4/20 0.45
LIPG Q9Y5X9 4/20 0.45
IDO1 P14902 3/20 0.36
CXCR2 P25025 2/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
PDE3A Q14432 1/20 0.33
TDO2 P48775 1/20 0.32
F2 P00734 1/20 0.31
F11 P03951 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
AR P10275 4/20 0.31
HSD11B1 P28845 1/20 0.31
CHRM5 P08912 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
SCHEMBL30467890 0.89 LPL (0.44) LPLLIPGIDO1CXCR2CA1
SCHEMBL30467887 0.89 LPL (0.44) LPLLIPGIDO1CXCR2CA1
SCHEMBL15974776 0.89 LPL (0.44) LPLLIPGIDO1CXCR2CA1
SCHEMBL20537095 0.87 LPL (0.45) LPLLIPGIDO1CXCR2CA1
SCHEMBL30847591 0.83 CES2 (0.39) LPLLIPGF2F11PRSS1
SCHEMBL19031772 0.83 LPL (0.45) LPLLIPGCA1CA2F2
SCHEMBL29314788 0.83 CES2 (0.39) LPLLIPGF2F11PRSS1
SCHEMBL22606823 0.82 LPL (0.36) LPLLIPGF2F11PRSS1
SCHEMBL15156705 0.82 KDM1A (0.36) LPLLIPGF2F11PRSS1
SCHEMBL29973507 0.82 GAA (0.46) LPLLIPGF2F11PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3398945-B1 PYRIMIDINYL DERIVATIVES AND THEIR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO LTD (KR) 2022-11-02 EP disclosed
EP-3392247-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-07-29 EP disclosed
EP-3459943-B1 PYRIMIDINE-BASED ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-07-22 EP disclosed
EP-3459943-B1 PYRIMIDINE-BASED ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-07-22 EP disclosed
EP-3459943-A1 PYRIMIDINE-BASED ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-03-27 EP disclosed
EP-3459943-A1 PYRIMIDINE-BASED ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-03-27 EP disclosed
EP-3398945-A1 PYRIMIDINYL BENZENE DERIVATIVES AND THEIR USE IN OPTOELECTRONIC DEVICES cynora GmbH (DE) 2018-11-07 EP disclosed
EP-3392247-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-10-24 EP disclosed