SCHEMBL16585682

SCHEMBL16585682

CC(CCC1CC(=O)OC1=O)CC1CC(=O)OC1=O

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL14306712 0.87 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL6253027 0.86 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL7698101 0.84 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL9001083 0.82 ALDH1A1 (0.43) ALDH1A1TSHR
SCHEMBL14407688 0.81 FNTA (0.32) ALDH1A1TSHR
SCHEMBL24494609 0.81 ALDH1A1 (0.54) ALDH1A1TSHR
SCHEMBL15641792 0.81 ALDH1A1 (0.54) ALDH1A1TSHR
SCHEMBL22435315 0.81 ALDH1A1 (0.54) ALDH1A1TSHR
SCHEMBL15641876 0.81 ALDH1A1 (0.54) ALDH1A1TSHR
SCHEMBL15641902 0.80 ALDH1A1 (0.52) 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-2015041737-A1 PROCESS OF POLYOLEFIN FUNCTIONALIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-03-26 WO disclosed