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SCHEMBL7417210

SCHEMBL7417210

O=C(OCC(F)(F)F)C(O)C(O)C(=O)OCC(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 1.00
▸ FABP7 O15540 1/20 0.33
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32

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
SCHEMBL7417213 1.00 HTT (1.00) HTTFABP7CA1CA2CA9
SCHEMBL18658491 0.87 HTT (0.76) HTT
SCHEMBL17982679 0.80 HTT (0.67) HTTFABP7CA1CA2CA9
SCHEMBL29936286 0.79 HTT (0.65) HTTFABP7CA1CA2CA9
SCHEMBL19857432 0.79 HTT (0.65) HTTFABP7CA1CA2CA9
SCHEMBL28371570 0.77 HTT (0.62) HTTFABP7CA1CA2CA9
SCHEMBL15522581 0.77 HTT (0.62) HTTFABP7CA1CA2CA9
SCHEMBL26339936 0.77 HTT (0.62) HTTFABP7CA1CA2CA9
SCHEMBL8058209 0.77 HTT (0.62) HTTFABP7CA1CA2CA9
SCHEMBL805296 0.77 HTT (0.62) HTTFABP7CA1CA2CA9

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-6479477-B1 SUITABLE FOR USE IN MODULATING INTRA- AND EXTRACELLULAR PROCESSES IN WHICH SUPEROXIDE RADICALS, OR OTHER OXIDANTS SUCH AS HYDROGEN PEROXIDE OR PEROXYNITRITE, ARE A PARTICIPANT DUKE UNIVERSITY 2002-11-12 — — US disclosed