SCHEMBL5945784

SCHEMBL5945784

O=C(O)/C(CC(F)(F)C(F)F)=C(/CC(F)(F)C(F)F)C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TET2 Q6N021 1/20 0.30
ALDH1A1 P00352 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL5945788 1.00 POLB (0.31) POLBTDP1TET2ALDH1A1NPSR1
SCHEMBL11212211 0.87 GRIK1 (0.39)
SCHEMBL15674992 0.79 ACLY (0.41) POLBTDP1ALDH1A1NPSR1
SCHEMBL10662248 0.79 FNTA (0.32)
SCHEMBL453532 0.76 TET2 (0.50) TET2
SCHEMBL7252430 0.73 GRIK1 (0.39)
SCHEMBL3212802 0.73 TSHR (0.35) TDP1
SCHEMBL3212789 0.73 TSHR (0.35) TDP1
SCHEMBL7252434 0.73 GRIK1 (0.39)
SCHEMBL1791642 0.73 TET2 (0.34) TET2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060116527-A1 Method for fabricating a high specific surface area mesoporous alumina INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2006-06-01 US disclosed