SCHEMBL6262248

SCHEMBL6262248

O=[C]c1c(F)c(F)c(C(=O)CC(=O)O)c(F)c1F

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.31
LDHA P00338 1/20 0.31
SRR Q9GZT4 1/20 0.31
TSHR P16473 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
SCHEMBL330842 0.83 HTT (0.43) HTTLDHASRRTSHR
SCHEMBL27478812 0.76 MEN1 (0.32)
SCHEMBL7024101 0.70 HTT (0.48) HTTTSHR
SCHEMBL9135192 0.69 HTT (0.36) HTTLDHASRRTSHR
SCHEMBL8007008 0.69 TAS1R3 (0.42) HTTTSHR
SCHEMBL317183 0.67
SCHEMBL9378716 0.65 HTT (0.33) HTTTSHR
SCHEMBL9136253 0.65 CES2 (0.34) LDHASRR
SCHEMBL9687755 0.64 HTT (0.32) HTTTSHR
SCHEMBL27493283 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254096-B1 METHOD FOR PRODUCING 2,3,5,6-TETRAHALOGEN-XYLYLIDENE COMPOUNDS LANXESS DEUTSCHLAND GMBH (DE) 2005-11-09 EP disclosed
EP-1254096-A1 METHOD FOR PRODUCING 2,3,5,6-TETRAHALOGEN-XYLYLIDENE COMPOUNDS Bayer Aktiengesellschaft (DE) 2002-11-06 EP disclosed
WO-2001055064-A1 METHOD FOR PRODUCING 2,3,5,6-TETRAHALOGEN-XYLYLIDENE COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2001-08-02 WO disclosed