SCHEMBL900976

SCHEMBL900976

[CH2]c1cccc(OC(F)(F)F)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPL P40238 1/20 0.44
KDM4E B2RXH2 2/20 0.35
SCN9A Q15858 3/20 0.33
TRPA1 O75762 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
KCNK3 O14649 1/20 0.32
KCNK9 Q9NPC2 1/20 0.32
GAA P10253 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
EPHX2 P34913 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
GRIA1 P42261 1/20 0.31
CACNG8 Q8WXS5 1/20 0.31
SYK P43405 1/20 0.31
MAPT P10636 1/20 0.31
GRIN1 Q05586 1/20 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
SCHEMBL96142 0.80 GAA (0.38) KDM4ESCN9ATRPA1KCNK3KCNK9
SCHEMBL2039400 0.79 KDM4E (0.35) MPLKDM4ESCN9AKCNK3KCNK9
SCHEMBL1401600 0.78 MPL (0.46) MPLKDM4ESCN9ATRPA1HTR2A
SCHEMBL1044967 0.78 KDM4E (0.39) MPLKDM4ESCN9AKCNK3KCNK9
SCHEMBL16952780 0.78 HSD11B1 (0.36) MPLKDM4ESCN9AKCNK3KCNK9
SCHEMBL16954929 0.78 GRIA1 (0.36) MPLKDM4ESCN9AKCNK3KCNK9
SCHEMBL1046565 0.78 KDM4E (0.37) MPLKDM4ESCN9AKCNK3KCNK9
SCHEMBL16957503 0.78 KDM4E (0.34) MPLKDM4ESCN9AKCNK3KCNK9
SCHEMBL2097658 0.75 MPL (0.44) MPLKDM4ESCN9ATRPA1HTR2A
SCHEMBL17039548 0.75 KCNK3 (0.44) MPLKDM4ESCN9AKCNK3KCNK9

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-3547414-B1 LITHIUM ELECTRODE AND LITHIUM SECONDARY BATTERY COMPRISING SAME LG ENERGY SOLUTION LTD (KR) 2023-09-13 EP claimed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
EP-2621922-A1 A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS BASF SE (DE) 2013-08-07 EP disclosed
WO-2012041858-A1 A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS BASF SE (DE) 2012-04-05 WO disclosed