SCHEMBL27389331

SCHEMBL27389331

CC(C)(C)C(=O)OO.CC(C)(O)CCO

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
PRKCA P17252 1/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 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
1,3-Propanediol SCHEMBL28257787 0.79 CYP4F2 (0.39) PRKCACYP4F2CYP4A11
SCHEMBL29459749 0.78 ELANE (0.39) ALDH1A1PRKCA
SCHEMBL1309625 0.78
Pivalate SCHEMBL27490297 0.77 ALDH1A1 (0.45) ALDH1A1
SCHEMBL3271644 0.75 ELANE (0.37) ALDH1A1PRKCA
Methane SCHEMBL28064750 0.75
SCHEMBL45262 0.75
SCHEMBL1096136 0.75 PRKCA (0.36) PRKCA
Acetic Acid SCHEMBL21643558 0.74 ALDH1A1 (0.47) ALDH1A1
Acetic Acid SCHEMBL14691201 0.74 ALDH1A1 (0.47) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1329471-C Thermally expandable microspheres, method for producing same, and method for using same MATSUMOTO YUSHI SEIYAKU K K (JP) 2007-08-01 CN disclosed
CN-1697868-A Thermally expandable microspheres, method for producing same, and method for using same MATSUMOTO YUSHI SEIYAKU KK (JP) 2005-11-16 CN disclosed
CN-1093096-C Water-dispersible or water-soluble polyurethanes as additives for building materials BAYER AG (DE) 2002-10-23 CN disclosed
CN-1211551-A Water-dispersible or water-soluble polyurethanes as additives for building materials BAYER AG (DE) 1999-03-24 CN disclosed