SCHEMBL21385254

SCHEMBL21385254

CC(=O)CC(C)(C)O.COCCOCCOC

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.32
PIK3CD O00329 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
HMGCR P04035 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30
ADRA1A P35348 1/20 0.30
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30

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
2-Methoxyethanol SCHEMBL10611258 0.83 PIK3CD (0.31) PIK3CDHMGCRCHRM1TBXA2RADRA1A
Methoxymethane SCHEMBL991927 0.82 GAA (0.38) PIK3CDALDH1A1TSHRHMGCRCHRM1
SCHEMBL28197231 0.81 HSD17B10 (0.37) PIK3CDALDH1A1TSHRHMGCRCHRM1
SCHEMBL1536952 0.79 HMGCR (0.43) PIK3CDALDH1A1TSHRHMGCRCHRM1
SCHEMBL28494 0.79
Acetic Acid Methyl Ester SCHEMBL28127939 0.78 ALDH1A1 (0.50) PIK3CDALDH1A1TSHRHMGCRCHRM1
SCHEMBL16195909 0.78 MAPK1 (0.40) PIK3CDALDH1A1
Ammonia Solution, Strong SCHEMBL9790221 0.77
SCHEMBL8482096 0.77
Acetone SCHEMBL11555965 0.77 CA2 (0.41) CA2ALDH1A1TSHRMGAMGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019182071-A1 LIQUID CRYSTAL ALIGNMENT AGENT, POLYMER FOR OBTAINING SAME, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME 日産化学株式会社 2019-09-26 WO disclosed
WO-2019182072-A1 POLYUREA COPOLYMER, LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME 日産化学株式会社 2019-09-26 WO disclosed
WO-2019182070-A1 LIQUID CRYSTAL ALIGNING AGENT, POLYMER FOR OBTAINING SAME, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME 日産化学株式会社 2019-09-26 WO disclosed