SCHEMBL9769896

SCHEMBL9769896

O=C(O)C[C@@H](O)CC(O)C=CC(=C(c1ccc(F)cc1)c1ccc(F)cc1)n1cnnn1

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 11/20 0.82

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
SCHEMBL9769881 1.00 HMGCR (0.82) HMGCR
SCHEMBL9769814 1.00 HMGCR (0.82) HMGCR
SCHEMBL9769801 1.00 HMGCR (0.82) HMGCR
SCHEMBL9769786 0.87 HMGCR (0.74) HMGCR
SCHEMBL9802506 0.87 HMGCR (0.74) HMGCR
SCHEMBL10555078 0.80 HMGCR (0.82) HMGCR
SCHEMBL10437639 0.80 HMGCR (0.82) HMGCR
SCHEMBL9769868 0.77 HMGCR (0.61) HMGCR
SCHEMBL9769862 0.77 HMGCR (0.61) HMGCR
SCHEMBL9860008 0.75 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-5070206-A INHIBITORS OF 3-HYDROXY-3-METHYLGLUTARYL COENZYME A REDUCTASE; ANTICHOLESTEROL, ANTILIPEMIC BRISTOL-MYERS COMPANY (US) 1991-12-03 US disclosed