SCHEMBL21391057

SCHEMBL21391057

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

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.39
CHRM1 P11229 1/20 0.39
TBXA2R P21731 1/20 0.39
ADRA1A P35348 1/20 0.39

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
SCHEMBL21272609 0.81 HMGCR (0.64) HMGCRCHRM1TBXA2RADRA1A
SCHEMBL7041938 0.79 HMGCR (0.58) HMGCRCHRM1TBXA2RADRA1A
SCHEMBL123396 0.73
SCHEMBL21272706 0.73 GAA (0.41) HMGCRCHRM1TBXA2RADRA1A
SCHEMBL29229017 0.72
SCHEMBL3903716 0.72
SCHEMBL14644733 0.72
SCHEMBL15113111 0.71
SCHEMBL11289793 0.71
SCHEMBL22438757 0.70

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-2019183148-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KNOPP BIOSCIENCES LLC (US) 2019-09-26 WO disclosed