SCHEMBL3669205

SCHEMBL3669205

C1CCCCCCCCC1.C1CCCCCCCCC1.C1CCCCCCCCC1.O=C(O)C(=CCCO)CCO

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.32
GRIK2 Q13002 1/20 0.32
CPB1 P15086 1/20 0.32
ABAT P80404 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
SCHEMBL28502381 0.93 GRIK1 (0.34) GRIK1GRIK2CPB1ABAT
Phosphoric Acid SCHEMBL2945277 0.85 GRIK1 (0.31) GRIK1GRIK2CPB1
SCHEMBL8836865 0.80 CAMK2A (0.44) GRIK1GRIK2CPB1ABAT
SCHEMBL1897827 0.80 EGLN1 (0.41) GRIK1GRIK2CPB1ABAT
SCHEMBL9651125 0.78 GRIK1 (0.43) GRIK1GRIK2CPB1
SCHEMBL11034344 0.75 GRIK1 (0.54) GRIK1GRIK2
SCHEMBL11034343 0.75 GRIK1 (0.46) GRIK1GRIK2
SCHEMBL2484515 0.73 GRIK1 (0.48) GRIK1GRIK2ABAT
SCHEMBL9495460 0.73 CPB1 (0.55) GRIK1GRIK2CPB1ABAT
SCHEMBL4937124 0.73

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2193776-A2 Dental composites with low shrinkage stress and high bending resistance Heraeus Kulzer GmbH (DE) 2010-06-09 EP disclosed
EP-2016931-A2 Dental composite with low shrink tensing and high bend stability Heraeus Kulzer GmbH (DE) 2009-01-21 EP disclosed