SCHEMBL7952917

SCHEMBL7952917

CNc1nc(-c2ccc(F)cc2)c(/C=C/[C@@H]2C[C@H](CC(=O)O)OC(C)(C)O2)c(C(C)C)n1

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 12/20 0.49

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
SCHEMBL20713947 0.93 HMGCR (0.49) HMGCR
SCHEMBL1347123 0.91 HMGCR (0.49) HMGCR
SCHEMBL3964715 0.91 HMGCR (0.47) HMGCR
SCHEMBL3167877 0.91 HMGCR (0.47) HMGCR
SCHEMBL4453080 0.90 HMGCR (0.48) HMGCR
Methylamine SCHEMBL3171804 0.90 HMGCR (0.46) HMGCR
SCHEMBL4451033 0.90 HMGCR (0.48) HMGCR
SCHEMBL7954946 0.89 HMGCR (0.51) HMGCR
SCHEMBL12198698 0.88 HMGCR (0.55) HMGCR
SCHEMBL20713949 0.86 HMGCR (0.44) 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
WO-2009157014-A2 A PROCESS FOR PREPARING HMG-COA REDUCTASE INHIBITORS AND INTERMEDIATES CADILA HEALTHCARE LIMITED (IN) 2009-12-30 — — WO disclosed
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