SCHEMBL9855312

SCHEMBL9855312

COC(=O)CC(O)CC(O)/C=C/C(C)=C(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 3/20 0.47

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
SCHEMBL9855573 0.85 HMGCR (0.48) HMGCR
SCHEMBL9855297 0.84 HMGCR (0.39) HMGCR
SCHEMBL9855294 0.84 HMGCR (0.39) HMGCR
SCHEMBL9621968 0.76 ALDH1A1 (0.40) HMGCR
SCHEMBL9622396 0.75 HMGCR (0.46) HMGCR
SCHEMBL9855223 0.75 HMGCR (0.44) HMGCR
SCHEMBL9855647 0.75 HMGCR (0.44) HMGCR
SCHEMBL9855308 0.74 HMGCR (0.43) HMGCR
SCHEMBL9855703 0.74 HMGCR (0.43) HMGCR
SCHEMBL9622380 0.74 HMGCR (0.43) 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-5011947-A Enzyme inhibitors for cholesterol biosythesis BRISTOL-MYERS (US) 1991-04-30 US disclosed