SCHEMBL2566567

SCHEMBL2566567

C=COC(C)Oc1ccc([S+](c2ccc(OC(C)OC=C)cc2)c2ccc(OC(C)OC=C)cc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 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
SCHEMBL2569744 0.93 CYP1A2 (0.33)
SCHEMBL1344967 0.88 ALDH1A3 (0.39) ALDH1A3
Trifluoromethanesulfonic Acid SCHEMBL2570839 0.84 ACHE (0.31)
SCHEMBL3958244 0.82 CYP1A2 (0.39) ALDH1A3
Tromethamine SCHEMBL3420453 0.81 PLA2G4A (0.33)
SCHEMBL3433767 0.81
SCHEMBL9557952 0.81 ALDH1A3 (0.34) ALDH1A3
SCHEMBL2960693 0.81 ACHE (0.38) ALDH1A3
SCHEMBL11788149 0.81 CA1 (0.44)
Trifluoromethanesulfonic Acid SCHEMBL2572040 0.80 GPR3 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2384457-A2 COATING COMPOSITIONS AZ Electronic Materials USA Corp. (US) 2011-11-09 EP claimed
WO-2010055406-A2 COATING COMPOSITIONS AZ ELECTRONIC MATERIALS USA CORP. (US) 2010-05-20 WO claimed
EP-2384457-B1 COATING COMPOSITIONS MERCK PATENT GMBH (DE) 2022-07-06 EP disclosed
EP-2384457-A2 COATING COMPOSITIONS AZ Electronic Materials USA Corp. (US) 2011-11-09 EP disclosed
WO-2010055406-A2 COATING COMPOSITIONS AZ ELECTRONIC MATERIALS USA CORP. (US) 2010-05-20 WO disclosed