SCHEMBL13192023

SCHEMBL13192023

O=COC(=O)CCC1CC(=O)OC1=O

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL11983878 0.78 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL23219621 0.78 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL2477172 0.76 FOLH1 (0.42) ALDH1A1TSHR
SCHEMBL23219622 0.75 TSHR (0.36) ALDH1A1TSHR
SCHEMBL14883007 0.73 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL4168233 0.73 TSHR (0.44) ALDH1A1TSHR
SCHEMBL2805843 0.70 TSHR (0.39) ALDH1A1TSHR
SCHEMBL3283469 0.70 ALDH1A1 (0.40) ALDH1A1TSHR
SCHEMBL12164324 0.70 CTRC (0.35) ALDH1A1
SCHEMBL13644386 0.70 TDP1 (0.41) 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-2012137837-A1 POLYCARBOXYLIC ACID RESIN AND COMPOSITION THEREOF 日本化薬株式会社 (JP) 2012-10-11 WO disclosed