SCHEMBL46413

SCHEMBL46413

OCCOC1(OCCOCC2CO2)CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPK1 P28482 1/20 0.36
PDK1 Q15118 1/20 0.33

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
SCHEMBL4459210 0.77 MEN1 (0.48) TSHRALDH1A1MAPK1
SCHEMBL176168 0.77 MEN1 (0.48) TSHRALDH1A1MAPK1
SCHEMBL14269358 0.77 MEN1 (0.48) TSHRALDH1A1MAPK1
SCHEMBL46409 0.77 TSHR (0.32) TSHRMAPK1
SCHEMBL541813 0.75 TSHR (0.39) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL4976681 0.75 TSHR (0.60) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL8198631 0.75 TSHR (0.60) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL8191937 0.75 TSHR (0.60) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL29212545 0.75 TSHR (0.60) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL4608703 0.75 TSHR (0.60) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1

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-2011140644-A1 POLYACETAL OR POLYKETAL AND ETHER POLYMERS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2011-11-17 WO disclosed