SCHEMBL9726562

SCHEMBL9726562

Cn1nnnc1C(/C=C/C(O)CC(=O)CC(=O)O)=C(\c1ccccc1)c1ccc(F)cc1

nearest known ligand 0.71

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 3/20 0.65

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
SCHEMBL9726760 0.97 HMGCR (0.68) HMGCR
SCHEMBL9726764 0.97 HMGCR (0.68) HMGCR
SCHEMBL9726842 0.97 HMGCR (0.68) HMGCR
SCHEMBL9726845 0.97 HMGCR (0.68) HMGCR
SCHEMBL9798880 0.90 HMGCR (0.60) HMGCR
SCHEMBL9798888 0.90 HMGCR (0.60) HMGCR
SCHEMBL9726898 0.89 HMGCR (0.73) HMGCR
SCHEMBL9726903 0.89 HMGCR (0.73) HMGCR
SCHEMBL10426406 0.88 HMGCR (0.78) HMGCR
SCHEMBL10426316 0.88 HMGCR (0.78) 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-5110940-A Inhibitors of 3-hydroxy-3-methylglutaryl coenzyme A reductase BRISTOL-MYERS COMPANY (US) 1992-05-05 US disclosed
US-5068346-A Anticholesterol agents BRISTOL-MYERS COMPANY (US) 1991-11-26 US disclosed
US-4939265-A Intermediates and process for the preparation of antihypercholesterolemic tetrazole compounds BRISTOL-MYERS COMPANY (US) 1990-07-03 US disclosed
US-4898949-A Intermediates for the preparation of antihypercholesterolemic tetrazole compounds BRISTOL-MYERS COMPANY (US) 1990-02-06 US disclosed
WO-1988006584-A1 ANTIHYPERCHOLESTEROLEMIC TETRAZOLE COMPOUNDS BRISTOL-MYERS COMPANY (US) 1988-09-07 WO disclosed