SCHEMBL28034175

SCHEMBL28034175

CC=CCC(=O)C(=O)O.[Ti]

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 2/20 0.38
MAPK1 P28482 1/20 0.38
SLC13A3 Q8WWT9 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
ALDH1A1 P00352 1/20 0.35
CYP2D6 P10635 1/20 0.35
ALOX15 P16050 1/20 0.35
GRIK1 P39086 2/20 0.32
GRIK2 Q13002 2/20 0.32
HAO1 Q9UJM8 1/20 0.31

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
SCHEMBL4866178 0.97
SCHEMBL2932014 0.97
SCHEMBL3505065 0.76
SCHEMBL3505066 0.76
SCHEMBL8943586 0.76 ALDH1A1 (0.36) ALDH1A1CYP2D6ALOX15GRIK1GRIK2
SCHEMBL9225657 0.75
SCHEMBL360177 0.75
SCHEMBL34657 0.75
SCHEMBL34656 0.75
SCHEMBL15484952 0.74 ALDH1A1 (0.41) OR51E2ALDH1A1CYP2D6ALOX15GRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105408395-A Bis(sulfonyl)alkanol-containing polythioethers, methods of synthesis, and compositions thereof PRC DESOTO INT INC 2016-03-16 CN disclosed
CN-105143312-A Sulfone-containing polythioethers, compositions thereof, and methods of synthesis PRC DESOTO INT INC 2015-12-09 CN disclosed
CN-103502316-B multifunctional sulfur-containing polymers, compositions and methods of use thereof PRC-DESOTO INTERNATIONAL, INC. (US) 2015-09-02 CN disclosed