SCHEMBL22558074

SCHEMBL22558074

CCCOC(=O)OCC#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
LMNA P02545 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
TSHR P16473 2/20 0.37
ESR1 P03372 1/20 0.37
CHRM1 P11229 1/20 0.37
SLC6A2 P23975 1/20 0.37
KDR P35968 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HCAR2 Q8TDS4 1/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MCL1 Q07820 2/20 0.32
KDM4E B2RXH2 2/20 0.31
POLB P06746 2/20 0.31
SOAT1 P35610 1/20 0.31
STS P08842 1/20 0.31
ATM Q13315 1/20 0.30
HPGD P15428 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
SCHEMBL22557958 0.88 ALDH1A1 (0.48) ALDH1A1LMNAZDHHC20ZDHHC2TSHR
SCHEMBL1477969 0.86 SLC1A3 (0.33) ALDH1A1ZDHHC20ZDHHC2MCL1
SCHEMBL22557929 0.86 NAAA (0.47) ALDH1A1LMNAZDHHC20ZDHHC2TSHR
SCHEMBL22558093 0.84 NAAA (0.50) ALDH1A1LMNAZDHHC20ZDHHC2TSHR
SCHEMBL22557961 0.84 NAAA (0.50) ALDH1A1LMNAZDHHC20ZDHHC2TSHR
SCHEMBL22558091 0.84 NAAA (0.50) ALDH1A1LMNAZDHHC20ZDHHC2TSHR
SCHEMBL22558127 0.84 NAAA (0.50) ALDH1A1LMNAZDHHC20ZDHHC2TSHR
SCHEMBL22557924 0.84 NAAA (0.50) ALDH1A1LMNAZDHHC20ZDHHC2TSHR
SCHEMBL22558099 0.84 NAAA (0.50) ALDH1A1LMNAZDHHC20ZDHHC2TSHR
Acetonitrile SCHEMBL28457490 0.84 ALDH1A1 (0.43) ALDH1A1LMNATSHRESR1CHRM1

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
US-20220209301-A1 CARBONATE SOLVENTS FOR NON-AQUEOUS ELECTROLYTES FOR METAL AND METAL-ION BATTERIES SCE FRANCE (FR) 2022-06-30 US disclosed
EP-3956288-A1 CARBONATE SOLVENTS FOR NON-AQUEOUS ELECTROLYTES FOR METAL AND METAL-ION BATTERIES SCE France (FR) 2022-02-23 EP disclosed
CN-113795963-A Carbonate solvents for non-aqueous electrolytes for metal and metal ion batteries 斯塞法国公司 2021-12-14 CN disclosed
WO-2020212872-A1 CARBONATE SOLVENTS FOR NON-AQUEOUS ELECTROLYTES FOR METAL AND METAL-ION BATTERIES SCE FRANCE (FR) 2020-10-22 WO disclosed