SCHEMBL9696241

SCHEMBL9696241

COP(=O)(C#Cc1c(C(C)C)c2ccccn2c1-c1ccc(F)cc1)C[C@@H](O)CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 3/20 0.38

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
SCHEMBL9696587 0.89 HMGCR (0.40) HMGCR
SCHEMBL9696578 0.89 HMGCR (0.40) HMGCR
SCHEMBL9695052 0.85 ABCB11 (0.39) HMGCR
SCHEMBL9695065 0.85 ABCB11 (0.39) HMGCR
SCHEMBL9781040 0.84 HMGCR (0.30) HMGCR
SCHEMBL9853863 0.84 HMGCR (0.30) HMGCR
SCHEMBL8952988 0.79 HMGCR (0.49) HMGCR
SCHEMBL9696261 0.79 HMGCR (0.39) HMGCR
SCHEMBL8952973 0.79 HMGCR (0.49) HMGCR
SCHEMBL9696267 0.79 HMGCR (0.39) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5124453-A Treatment of corresponding aldehyde with lithium bis(tri-methylsilyl)amide E. R. SQUIBB & SONS, INC. (US) 1992-06-23 US disclosed
EP-0444532-A1 Phosphorus-containing HMG-CoA reductase inhibitors, new intermediates and method E.R. SQUIBB & SONS, INC. (US) 1991-09-04 EP disclosed
US-5025000-A Anticholesterol, antilipemic agents E. R. SQUIBB & SONS, INC. (US) 1991-06-18 US disclosed