SCHEMBL28101808

SCHEMBL28101808

CC(C)C(O)(O)O.OCC(CO)(CO)COCC(CO)(CO)CO

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
CYP2C19 P33261 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
SCHEMBL3096124 0.81 ALDH1A1 (0.39) ALDH1A1
SCHEMBL15930 0.81 ALDH1A1 (0.39) ALDH1A1
Propylene Glycol SCHEMBL28636759 0.80 TDP1 (0.50)
SCHEMBL28338361 0.79
Propane SCHEMBL14841762 0.78 ALDH1A1 (0.33) ALDH1A1
Alcohol SCHEMBL3686052 0.78 ALDH1A1 (0.38) ALDH1A1
SCHEMBL24056316 0.78 ALDH1A1 (0.37) ALDH1A1
SCHEMBL8663211 0.78 ALDH1A1 (0.37) ALDH1A1
SCHEMBL14022831 0.78 ALDH1A1 (0.37) ALDH1A1
SCHEMBL1321753 0.78 ALDH1A1 (0.37) ALDH1A1

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-106133020-A Modifying epoxy resin by organosilicon and containing the compositions of this epoxy resin and solidfied material thereof 信越化学工业株式会社 2016-11-16 CN disclosed