SCHEMBL27940971

SCHEMBL27940971

CCC(C)(C)c1c[nH]c(C(C)C(C)C)n1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.33

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
SCHEMBL27922439 0.87 HMGCR (0.33) HMGCR
SCHEMBL3711626 0.86 HMGCR (0.34) HMGCR
SCHEMBL28805945 0.83 CNR2 (0.30)
SCHEMBL27940979 0.83 HMGCR (0.33) HMGCR
SCHEMBL27941001 0.82
SCHEMBL27922402 0.80 HMGCR (0.31) HMGCR
SCHEMBL28807925 0.72 HMGCR (0.35) HMGCR
SCHEMBL3701261 0.72 HMGCR (0.30) HMGCR
SCHEMBL3702002 0.72 HMGCR (0.30) HMGCR
SCHEMBL23124152 0.71 HMGCR (0.31) 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
CN-103361630-A Group 2 imidazolate formulations for direct liquid injection AIR PROD & CHEM 2013-10-23 CN disclosed