SCHEMBL18895751

SCHEMBL18895751

C=CCOCC(O)COC(CO)CO

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.55
CA2 P00918 5/20 0.55
CA7 P43166 4/20 0.55
CA9 Q16790 4/20 0.38
CA4 P22748 3/20 0.35
CYP2D6 P10635 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
SCHEMBL12937807 0.93 CA1 (0.52) CA1CA2CA7CA9CA4
SCHEMBL12937808 0.93 CA1 (0.52) CA1CA2CA7CA9CA4
SCHEMBL12937811 0.93 CA1 (0.52) CA1CA2CA7CA9CA4
SCHEMBL30390130 0.90 CA1 (0.49) CA1CA2CA7CA9CA4
SCHEMBL26005212 0.90 CA1 (0.49) CA1CA2CA7CA9CA4
SCHEMBL12937806 0.87 CA1 (0.50) CA1CA2CA7CA9CA4
SCHEMBL12937810 0.87 CA1 (0.50) CA1CA2CA7CA9CA4
SCHEMBL3229826 0.87 CA1 (0.48) CA1CA2CA7CA9CA4
SCHEMBL15025253 0.85 CA1 (0.52) CA1CA2CA7CA9CA4
SCHEMBL9816264 0.85 CA1 (0.50) CA1CA2CA7CA9CA4

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
US-9663432-B2 High-purity monoalkenyl-containing glycerin derivative and method of manufacturing same DOW CORNING TORAY CO., LTD. (JP) 2017-05-30 US disclosed
US-9663432-B2 High-purity monoalkenyl-containing glycerin derivative and method of manufacturing same DOW CORNING TORAY CO., LTD. (JP) 2017-05-30 US disclosed