SCHEMBL17854809

SCHEMBL17854809

CCCCOCCC(=O)OC1COC(C)(C)OC1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 1/20 0.33
EPHX2 P34913 1/20 0.33
CES2 O00748 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
SCHEMBL4722628 0.79 NAAA (0.70) NAAASMN1; SMN2TSHREPHX2
SCHEMBL17854780 0.78 CA2 (0.43)
SCHEMBL3824784 0.77 NAAA (0.71) NAAASMN1; SMN2TSHREPHX2
SCHEMBL17854810 0.76 CA2 (0.42) SMN1; SMN2
SCHEMBL29343931 0.75 SMN1; SMN2 (0.42) SMN1; SMN2TSHR
SCHEMBL10293021 0.74 ALDH1A1 (0.43) TSHR
SCHEMBL9106316 0.74 NAAA (0.33) NAAATSHR
SCHEMBL10292599 0.73 TSHR (0.38) TSHR
SCHEMBL11082920 0.71 NAAA (0.50) NAAA
SCHEMBL13567808 0.70 NAAA (0.54) NAAA

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-2016097840-A1 GLYCEROL ACETAL OR GLYCEROL KETAL ETHER-ESTER, PRODUCTION METHODS, USES, AND COMPOSITIONS CONTAINING SAME RHODIA POLIAMIDA E ESPECIALIDADES LTDA (BR) 2016-06-23 WO disclosed