SCHEMBL27941024

SCHEMBL27941024

CCCC(C)(C)c1cn(C(C)CC)cn1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.31
KDM5A P29375 1/20 0.30

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
SCHEMBL27832088 0.89 CNR2 (0.31)
SCHEMBL27922422 0.89 ACHE (0.32) HMGCR
SCHEMBL27940977 0.87 KDM5A (0.31) HMGCRKDM5A
SCHEMBL28807924 0.87 HMGCR (0.32) HMGCRKDM5A
SCHEMBL27922436 0.84 HMGCR (0.31) HMGCR
SCHEMBL18250318 0.83 KDM5A (0.32) KDM5A
SCHEMBL14421034 0.80 KDM5A (0.33) KDM5A
SCHEMBL27850467 0.79 CNR1 (0.30)
SCHEMBL27922401 0.77 ACHE (0.33)
SCHEMBL27940982 0.76 CNR2 (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