SCHEMBL28519962

SCHEMBL28519962

O=C(O)c1c(F)c(F)c(F)c(F)c1C(=O)O.[LiH]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
MEN1 O00255 7/20 0.41
KMT2A Q03164 7/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
GAA P10253 1/20 0.39
HTT P42858 2/20 0.39
PKM P14618 1/20 0.38
CYP1A2 P05177 1/20 0.36
MAPK1 P28482 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 2/20 0.35
KDM4E B2RXH2 1/20 0.34
ASPH Q12797 1/20 0.34
KDM8 Q8N371 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33

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
SCHEMBL5014711 1.00 CES2 (0.42) CES2CES1MEN1KMT2ASMN1; SMN2
SCHEMBL336394 0.97 CES2 (0.43) CES2CES1MEN1KMT2ASMN1; SMN2
SCHEMBL29449985 0.97 CES2 (0.43) CES2CES1MEN1KMT2ASMN1; SMN2
SCHEMBL10454071 0.93 CES2 (0.42) CES2CES1MEN1KMT2ASMN1; SMN2
Ammonia Solution, Strong SCHEMBL10455117 0.93 CES2 (0.42) CES2CES1MEN1KMT2ASMN1; SMN2
Fluoride SCHEMBL6448131 0.93 CES2 (0.42) CES2CES1MEN1KMT2ASMN1; SMN2
SCHEMBL10454093 0.93 CES2 (0.42) CES2CES1MEN1KMT2ASMN1; SMN2
Fluoride SCHEMBL10713010 0.93 CES2 (0.42) CES2CES1MEN1KMT2ASMN1; SMN2
SCHEMBL4962392 0.93 CES2 (0.42) CES2CES1MEN1KMT2ASMN1; SMN2
SCHEMBL5498238 0.93 CES2 (0.42) CES2CES1MEN1KMT2ASMN1; SMN2

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-112447937-B Electrochemical cell with high aspect ratio electrode 通用汽车环球科技运作有限责任公司 2024-07-09 CN disclosed
CN-112447937-A Electrochemical cell with high aspect ratio electrode 通用汽车环球科技运作有限责任公司 2021-03-05 CN disclosed