SCHEMBL28320676

SCHEMBL28320676

CCC(C)CC(CC)(C(=O)O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAPT P10636 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
SCHEMBL1172737 0.91 MAPT (0.32) MAPT
SCHEMBL3896850 0.81 GRM2 (0.36) MAPT
SCHEMBL7624691 0.79 GRM2 (0.35)
SCHEMBL6383301 0.77 GABRR1 (0.38)
SCHEMBL30018524 0.76 CHRM1 (0.33)
Tetramethylammonium Ion SCHEMBL10910954 0.76 GRM2 (0.33)
SCHEMBL1716225 0.76 TSHR (0.39) MAPT
SCHEMBL4611420 0.74 ACACB (0.36) MAPT
SCHEMBL5718442 0.74 ALDH1A1 (0.33) MAPT
SCHEMBL23244985 0.74 MAPT (0.30) MAPT

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-110256362-A A kind of preparation method of high-purity 5- ethyl -5- (1- methyl butyl) barbiturates 山东新华制药股份有限公司 2019-09-20 CN disclosed