SCHEMBL27940979

SCHEMBL27940979

CCC(C)c1nc(C(C)(C)CC)c[nH]1

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
SCHEMBL27922402 0.87 HMGCR (0.31) HMGCR
SCHEMBL27941027 0.87 HMGCR (0.33) HMGCR
SCHEMBL27832083 0.86
SCHEMBL3711626 0.86 HMGCR (0.34) HMGCR
SCHEMBL27832089 0.83 CNR2 (0.31)
SCHEMBL27940971 0.83 HMGCR (0.33) HMGCR
SCHEMBL25463415 0.81 CYP3A4 (0.31)
SCHEMBL27922425 0.76 HMGCR (0.33) HMGCR
SCHEMBL28807925 0.72 HMGCR (0.35) HMGCR
SCHEMBL27850516 0.72 SCN10A (0.32)

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