SCHEMBL27940949

SCHEMBL27940949

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

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.31

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
SCHEMBL27922324 0.93
SCHEMBL27922418 0.93 HMGCR (0.30) HMGCR
SCHEMBL27941046 0.91 HMGCR (0.33) HMGCR
SCHEMBL27941100 0.81 CNR2 (0.32)
SCHEMBL28805953 0.81 CNR2 (0.32)
SCHEMBL24995671 0.81
SCHEMBL3702002 0.80 HMGCR (0.30) HMGCR
SCHEMBL23895107 0.80
SCHEMBL28807925 0.77 HMGCR (0.35) HMGCR
SCHEMBL18469590 0.75

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