SCHEMBL23630671

SCHEMBL23630671

C=CC(=O)OCC(C)(C)C(=O)OCC(C)(C)CC(=C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
TP53 P04637 3/20 0.39
HIF1A Q16665 3/20 0.39
CYP3A4 P08684 2/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TET2 Q6N021 1/20 0.37
THRB P10828 1/20 0.34
TSHR P16473 6/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 2/20 0.32
ALOX15 P16050 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
SCHEMBL828170 0.85 ALDH1A1 (0.48) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL9507667 0.80 ALDH1A1 (0.53) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL27578201 0.76 ALDH1A1 (0.43) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL2383383 0.75 ALDH1A1 (0.55) ALDH1A1TP53HIF1ACYP3A4MAPK1
Toluene SCHEMBL11547979 0.75 THRB (0.41) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL20819821 0.75 ALDH1A1 (0.58) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL26188742 0.75 ALDH1A1 (0.39) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL9576158 0.74 ALDH1A1 (0.52) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL8957437 0.74 ALDH1A1 (0.52) ALDH1A1TP53HIF1ACYP3A4MAPK1
Ethylene Glycol SCHEMBL28305502 0.74 ALDH1A1 (0.49) ALDH1A1TP53HIF1ACYP3A4MAPK1

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-20210218059-A1 SILICON-BASED ENERGY STORAGE DEVICES WITH CARBOXYLIC ETHER, CARBOXYLIC ACID BASED SALT, OR ACRYLATE ELECTROLYTE CONTAINING ELECTROLYTE ADDITIVES ENEVATE CORPORATION 2021-07-15 US claimed
US-20210218059-A1 SILICON-BASED ENERGY STORAGE DEVICES WITH CARBOXYLIC ETHER, CARBOXYLIC ACID BASED SALT, OR ACRYLATE ELECTROLYTE CONTAINING ELECTROLYTE ADDITIVES ENEVATE CORPORATION 2021-07-15 US disclosed