SCHEMBL9855811

SCHEMBL9855811

O=C(O)CC(O)CC(O)/C=C/C(=C(c1ccc(F)cc1)c1ccc(F)cc1)C(F)F.[NaH]

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 11/20 0.46

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
SCHEMBL9855229 0.89 HMGCR (0.47) HMGCR
SCHEMBL9622032 0.88 HMGCR (0.48) HMGCR
SCHEMBL9422202 0.88 HMGCR (0.48) HMGCR
SCHEMBL9527407 0.88 HMGCR (0.48) HMGCR
SCHEMBL9527412 0.88 HMGCR (0.48) HMGCR
SCHEMBL9622030 0.88 HMGCR (0.48) HMGCR
SCHEMBL9420174 0.88 HMGCR (0.48) HMGCR
SCHEMBL9420163 0.88 HMGCR (0.48) HMGCR
SCHEMBL9420161 0.88 HMGCR (0.48) HMGCR
SCHEMBL9855573 0.84 HMGCR (0.48) HMGCR

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-5011947-A Enzyme inhibitors for cholesterol biosythesis BRISTOL-MYERS (US) 1991-04-30 US disclosed