SCHEMBL29307245

SCHEMBL29307245

CC(C)CCOC(C)(C)C(C)(F)F

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL12982357 0.77 ALDH1A1 (0.39) ALDH1A1CA12CA1CA2CA9
SCHEMBL16077756 0.76 ALDH1A1 (0.34) ALDH1A1CA12CA1CA2CA9
SCHEMBL31755 0.74 MAPK1 (0.42) ALDH1A1CA12CA1CA2CA9
SCHEMBL12022865 0.73 ALDH1A1 (0.36) ALDH1A1CA12CA1CA2CA9
SCHEMBL21933665 0.73 ALDH1A1 (0.32) ALDH1A1
SCHEMBL14689946 0.71 ALDH1A1 (0.34) ALDH1A1CA12CA1CA2CA9
Boric Acid SCHEMBL28284978 0.71 CA12 (0.32) ALDH1A1CA12CA1CA2CA9
SCHEMBL26934429 0.71 ALDH1A1 (0.31) ALDH1A1
SCHEMBL29307284 0.71
SCHEMBL16918290 0.70 CA12 (0.38) ALDH1A1CA12CA1CA2CA9

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-2024145811-A1 ELECTROLYTE SOLUTION, SECONDARY BATTERY COMPRISING SAME, AND ELECTRIC DEVICE 宁德时代新能源科技股份有限公司 2024-07-11 WO disclosed