SCHEMBL4453080

SCHEMBL4453080

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

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 12/20 0.48

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
SCHEMBL4451033 1.00 HMGCR (0.48) HMGCR
SCHEMBL28432429 0.92 HMGCR (0.46) HMGCR
SCHEMBL19524874 0.92 HMGCR (0.46) HMGCR
SCHEMBL17073105 0.92 HMGCR (0.46) HMGCR
SCHEMBL1978777 0.91 HMGCR (0.48) HMGCR
SCHEMBL2034579 0.91 HMGCR (0.46) HMGCR
SCHEMBL2050591 0.91 HMGCR (0.46) HMGCR
SCHEMBL4449603 0.90 HMGCR (0.49) HMGCR
SCHEMBL4453107 0.90 HMGCR (0.49) HMGCR
SCHEMBL4566288 0.90 HMGCR (0.49) 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 2 patents. 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 claimed
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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