SCHEMBL21391289

SCHEMBL21391289

CC(CO)OC(C)COO

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL16645037 0.83
SCHEMBL23945 0.83
SCHEMBL1350723 0.79 MAPK1 (0.33) MAPK1TSHRTDP1
SCHEMBL15170 0.79 MAPK1 (0.33) MAPK1TSHRTDP1
SCHEMBL12314010 0.75 MAPK1 (0.31) MAPK1TSHR
SCHEMBL29919310 0.75 ALDH1A1 (0.35) MAPK1TSHRTDP1
SCHEMBL16174710 0.73 HSD17B10 (0.43) MAPK1TDP1
SCHEMBL13254103 0.72
Glycerin SCHEMBL28830316 0.72 LMNA (0.53) MAPK1TSHRTDP1
SCHEMBL224938 0.72

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-2019181878-A1 LIQUID CRYSTAL ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学株式会社 2019-09-26 WO disclosed