SCHEMBL28923720

SCHEMBL28923720

CCOC(=O)CC(CCCC(F)(F)F)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
ALDH1A1 P00352 5/20 0.35
TRPA1 O75762 1/20 0.35
CYP1A2 P05177 1/20 0.35
KMT2A Q03164 2/20 0.34
CYP3A4 P08684 2/20 0.34
ALOX15 P16050 2/20 0.34
TSHR P16473 2/20 0.34
POLB P06746 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
CHRM1 P11229 1/20 0.33
ADORA1 P30542 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL9419145 0.88 CA1 (0.42) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL8668654 0.85 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL31252242 0.82 GAA (0.40) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1129987 0.82 GAA (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL235713 0.80 GAA (0.41) GAAMGAMSIMGAM2ALDH1A1
Hydrochloric Acid SCHEMBL1260836 0.79 CYP1A2 (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL27383612 0.79 GAA (0.40) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL3389138 0.79 CYP1A2 (0.41) GAAMGAMSIMGAM2ALDH1A1
Hydrochloric Acid SCHEMBL1262979 0.77 CYP1A2 (0.40) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28232656 0.76 GAA (0.38) GAAMGAMSIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114008824-A Alkali metal electrode treatment agent, electrolyte for alkali metal secondary battery, alkali metal electrode, alkali metal secondary battery, and module 大金工业株式会社 2022-02-01 CN disclosed
CN-113994518-A Electrolyte, secondary battery and module 大金工业株式会社 2022-01-28 CN disclosed
CN-113950765-A Electrolyte for alkali metal ion secondary battery, and module 大金工业株式会社 2022-01-18 CN disclosed
CN-113490674-A Compound, additive for electrolytic solution, electrochemical device, lithium ion secondary battery, and module 大金工业株式会社 2021-10-08 CN disclosed
CN-113474932-A Electrolyte solution, electrochemical device, lithium ion secondary battery, module, and compound 大金工业株式会社 2021-10-01 CN disclosed