SCHEMBL30780940

SCHEMBL30780940

CC(C)(C)C(CC(F)(F)F)C(N)=O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.32
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL10051729 0.81 CA1 (0.32) CA1CA2
SCHEMBL14423719 0.77 ALDH1A1 (0.33) CA1CA2
SCHEMBL23706955 0.76 CA1 (0.33) CA1CA2
SCHEMBL18665767 0.76 EPHX1 (0.30)
SCHEMBL10093713 0.76 CA1 (0.33) CA1CA2
SCHEMBL14560943 0.74
SCHEMBL277765 0.73 CA1 (0.43) CA1CA2
SCHEMBL8526815 0.73 CA1 (0.43) CA1CA2
SCHEMBL12868893 0.73 SLC1A3 (0.34)
SCHEMBL12868885 0.73 SLC1A3 (0.34)

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
WO-2024030651-A1 GPX4 INHIBITORS AND USE THEREOF SONATA THERAPEUTICS, INC. (US) 2024-02-08 WO disclosed