SCHEMBL2229968

SCHEMBL2229968

CC(C)(CO)C(=O)O.CC(C)(CO)CO.CCCCC(CC)(CO)CO

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
ACLY P53396 1/20 0.33
CA2 P00918 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL19348358 0.86 ALDH1A1 (0.32)
SCHEMBL18261782 0.82 ACLY (0.47) ACACBACACAACLY
SCHEMBL181383 0.80 ACACB (0.36) ACACBACACAACLY
SCHEMBL50245 0.78 TSHR (0.38) ACACBACACAACLY
SCHEMBL251421 0.78 ALDH1A1 (0.38)
SCHEMBL21161 0.78 ALDH1A1 (0.38)
SCHEMBL2136410 0.76 ALDH1A1 (0.31)
Benzene SCHEMBL28228638 0.76 ALDH1A1 (0.33)
SCHEMBL28554930 0.75 ALDH1A1 (0.36)
SCHEMBL6568311 0.75 ALDH1A1 (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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166286-A1 POLYMER COMPOSITIONS CYTEC SURFACE SPECIALTIES S.A. (BE) 2011-07-07 US disclosed
EP-2150592-A1 POLYMER COMPOSITIONS Cytec Surface Specialties, S.A. (BE) 2010-02-10 EP disclosed
WO-2008132075-A1 POLYMER COMPOSITIONS CYTEC SURFACE SPECIALTIES, S.A. (BE) 2008-11-06 WO disclosed
EP-1985674-A1 Polymer Compositions CYTEC SURFACE SPECIALTIES, S.A. (BE) 2008-10-29 EP disclosed