SCHEMBL29257536

SCHEMBL29257536

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
MGAM O43451 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
ALDH1A1 P00352 7/20 0.44
TRPA1 O75762 1/20 0.44
ALOX15 P16050 3/20 0.41
CYP3A4 P08684 2/20 0.41
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
HSD17B10 Q99714 2/20 0.40
CHRM1 P11229 1/20 0.40
ADORA1 P30542 1/20 0.40
CYP1A2 P05177 1/20 0.39
LMNA P02545 1/20 0.39
SOAT1 P35610 1/20 0.37
CYP2D6 P10635 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
CA12 O43570 1/20 0.35

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
SCHEMBL29243258 0.84 MGAM (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL973553 0.81
SCHEMBL15415171 0.80 MGAM (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL6344881 0.80 MGAM (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL29165984 0.79 CYP1A2 (0.39) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL27257214 0.79
SCHEMBL25981511 0.79
SCHEMBL29165370 0.78 MGAM (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28456840 0.78 L3MBTL1 (0.49) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL84736 0.78 GAA (0.44) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118299546-A Double-layer coated silicon-based composite anode material, preparation method thereof and battery 天津大学 2024-07-05 CN disclosed
CN-118146124-A Sulfonate containing ester group, preparation process and application thereof 苏州祺添新材料股份有限公司 2024-06-07 CN disclosed