SCHEMBL24689657

SCHEMBL24689657

O=C1CC(COC(=O)OCC2CC(=O)OC2=O)C(=O)O1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL15274758 0.82 ALDH1A1 (0.34) ALDH1A1TSHR
SCHEMBL15274745 0.81 TSHR (0.36) ALDH1A1TSHR
SCHEMBL15274755 0.81 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL3759455 0.80 ALDH1A1 (0.50) ALDH1A1TSHR
SCHEMBL12000456 0.79 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL15274760 0.79 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL15274749 0.79 GSTP1 (0.40) ALDH1A1TSHR
SCHEMBL15274759 0.79 GSTP1 (0.40) ALDH1A1TSHR
SCHEMBL15274748 0.79 GSTP1 (0.40) ALDH1A1TSHR
SCHEMBL15274754 0.79 ALDH1A1 (0.38) ALDH1A1TSHR

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
WO-2022218144-A1 LITHIUM-ION BATTERY 深圳新宙邦科技股份有限公司 2022-10-20 WO disclosed