SCHEMBL30267404

SCHEMBL30267404

CC(=O)OCC(F)F.O=C(O)CCC(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
GABRB2 P47870 2/20 0.38
GABRA4 P48169 2/20 0.38
GABRE P78334 2/20 0.38
GABRA6 Q16445 2/20 0.38
GABRG1 Q8N1C3 2/20 0.38
GABRG3 Q99928 2/20 0.38
GABRQ Q9UN88 2/20 0.38
CYP1A2 P05177 2/20 0.38
ANPEP P15144 3/20 0.36
ENPEP Q07075 3/20 0.36

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
SCHEMBL333733 0.83
SCHEMBL29050451 0.81 TET2 (0.36) TDP1GABRPGABRDGABRA1GABRB1
SCHEMBL29195959 0.81 TDP1 (0.47) TDP1LMNAALDH1A1HSD17B10USP2
Bicarbonate SCHEMBL17504537 0.79 TDP1 (0.45) TDP1LMNAALDH1A1HSD17B10USP2
SCHEMBL1032360 0.78
Hydrochloric Acid SCHEMBL7410571 0.76
SCHEMBL7430188 0.76 GABRP (0.45) TDP1GABRPGABRDGABRA1GABRB1
SCHEMBL17504535 0.76 TDP1 (0.42) TDP1LMNAALDH1A1HSD17B10USP2
SCHEMBL3503355 0.76 USP2 (0.42) TDP1GABRPGABRDGABRA1GABRB1
SCHEMBL4541642 0.74 ENPEP (0.50) TDP1GABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117996151-A Lithium secondary battery SK新能源株式会社 2024-05-07 CN disclosed
WO-2023075362-A1 NON-AQUEOUS ELECTROLYTE FOR LITHIUM SECONDARY BATTERY, AND LITHIUM SECONDARY BATTERY COMPRISING SAME 주식회사 엘지에너지솔루션 2023-05-04 WO disclosed
CN-115872863-A Process method for synthesizing electronic grade 2, 2-difluoroethyl acetate 胜华新能源科技(东营)有限公司 2023-03-31 CN disclosed
WO-2023043190-A1 NON-AQUEOUS ELECTROLYTE FOR LITHIUM SECONDARY BATTERY, AND LITHIUM SECONDARY BATTERY COMPRISING SAME 주식회사 엘지에너지솔루션 2023-03-23 WO disclosed