SCHEMBL9870905

SCHEMBL9870905

COc1c(C)nc(C(C)C)c(/C=C/[C@@H]2C[C@@H](O)CC(=O)O2)c1-c1ccc(F)cc1

nearest known ligand 0.70

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 12/20 0.68

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
SCHEMBL10398500 0.88 HMGCR (0.77) HMGCR
SCHEMBL9871180 0.87 HMGCR (0.69) HMGCR
SCHEMBL6226690 0.84 HMGCR (0.67) HMGCR
SCHEMBL6226685 0.84 HMGCR (0.67) HMGCR
SCHEMBL9483776 0.84 HMGCR (0.66) HMGCR
SCHEMBL9483772 0.84 HMGCR (0.66) HMGCR
SCHEMBL9483765 0.84 HMGCR (0.66) HMGCR
SCHEMBL9086136 0.83 HMGCR (0.60) HMGCR
SCHEMBL9086123 0.83 HMGCR (0.60) HMGCR
SCHEMBL9086116 0.83 HMGCR (0.60) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4906624-A 6-(((Substituted)pyridin-3-yl)alkyl)-and alkenyl)-tetrahydro-4-hydroxypyran-2-one inhibitors of cholesterol biosynthesis WARNER-LAMBERT COMPANY (US) 1990-03-06 US claimed
EP-0306929-A2 6-[[(Substituted)pyridin-3-YL]alkyl]-and alkenyl]-tetrahydro-4-hydroxypyran-2-one inhibitors of cholesterol biosynthesis WARNER-LAMBERT COMPANY (US) 1989-03-15 EP claimed
US-4997837-A Enzyme inhibitors WARNER-LAMBERT COMPANY (US) 1991-03-05 US disclosed
US-4906624-A 6-(((Substituted)pyridin-3-yl)alkyl)-and alkenyl)-tetrahydro-4-hydroxypyran-2-one inhibitors of cholesterol biosynthesis WARNER-LAMBERT COMPANY (US) 1990-03-06 US disclosed
EP-0306929-A2 6-[[(Substituted)pyridin-3-YL]alkyl]-and alkenyl]-tetrahydro-4-hydroxypyran-2-one inhibitors of cholesterol biosynthesis WARNER-LAMBERT COMPANY (US) 1989-03-15 EP disclosed