SCHEMBL9288111

SCHEMBL9288111

Cn1nnnc1C(/C=C/[C@@H](O)CC(O)CC(=O)O)=C(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 3/20 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
SCHEMBL6258027 1.00 HMGCR (0.82) HMGCR
SCHEMBL637920 1.00 HMGCR (0.82) HMGCR
SCHEMBL9288114 1.00 HMGCR (0.82) HMGCR
SCHEMBL637921 1.00 HMGCR (0.82) HMGCR
SCHEMBL9726556 1.00 HMGCR (0.82) HMGCR
Water SCHEMBL9726735 0.99 HMGCR (0.81) HMGCR
Water SCHEMBL10425262 0.99 HMGCR (0.81) HMGCR
SCHEMBL10426406 0.97 HMGCR (0.78) HMGCR
SCHEMBL10426316 0.97 HMGCR (0.78) HMGCR
SCHEMBL9726682 0.94 HMGCR (0.74) 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
EP-0658550-A2 Amino acid salts of and methods for preparing antihypercholesterolemic tetrazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1995-06-21 EP disclosed