SCHEMBL29307249

SCHEMBL29307249

CCCCCOC(C)(F)C(C)F

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
USP2 O75604 1/20 0.33
DNM1 Q05193 1/20 0.31
PLA2G2C Q5R387 1/20 0.30
SPHK1 Q9NYA1 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
SCHEMBL29307229 0.74
SCHEMBL11995881 0.74 CES2 (0.38) CES2CES1USP2DNM1PLA2G2C
SCHEMBL13483251 0.73 CES1 (0.45) CES2CES1
SCHEMBL29691410 0.72 CES2 (0.41) CES2CES1USP2DNM1PLA2G2C
SCHEMBL29760638 0.72 CES2 (0.41) CES2CES1USP2DNM1PLA2G2C
SCHEMBL29352155 0.72 CES2 (0.41) CES2CES1USP2DNM1PLA2G2C
SCHEMBL1608819 0.72 CES2 (0.43) CES2CES1
SCHEMBL11995880 0.71 CES2 (0.36) CES2CES1DNM1PLA2G2C
SCHEMBL3803468 0.71 CES2 (0.36) CES2CES1DNM1PLA2G2C
SCHEMBL29307291 0.71

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