SCHEMBL28385753

SCHEMBL28385753

CCCC=C(CC)C(=O)OOOC(C)(C)CC

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.31
GRIK2 Q13002 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
SCHEMBL318458 0.87 GRIK1 (0.33) GRIK1GRIK2
SCHEMBL7655559 0.79 GRIK1 (0.40) GRIK1GRIK2
SCHEMBL7655562 0.79 GRIK1 (0.40) GRIK1GRIK2
SCHEMBL4627059 0.73 GRIK1 (0.41) GRIK1GRIK2
SCHEMBL4627053 0.73 GRIK1 (0.41) GRIK1GRIK2
SCHEMBL10355166 0.72 ALDH1A1 (0.32)
SCHEMBL29030435 0.70 GRIK1 (0.39) GRIK1GRIK2
SCHEMBL27919955 0.70 GRIK1 (0.39) GRIK1GRIK2
SCHEMBL9240644 0.70 PPARG (0.35)
SCHEMBL22611956 0.69 TSHR (0.36)

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-110945070-A Tire rubber modifier 哈利玛化成株式会社 2020-03-31 CN disclosed