SCHEMBL22558049

SCHEMBL22558049

CC(C)COC(=O)OCCC#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
NFKB1 P19838 1/20 0.37
PTGS1 P23219 1/20 0.37
APEX1 P27695 1/20 0.37
THPO P40225 1/20 0.37
PMP22 Q01453 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PRKD3 O94806 1/20 0.31
MAPK8 P45983 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL22557979 0.91 TSHR (0.37) TSHRMEN1KMT2ALMNACYP3A4
SCHEMBL22558209 0.89 TSHR (0.36) TSHRMEN1KMT2ALMNACYP3A4
SCHEMBL979981 0.83 MEN1 (0.39) TSHRMEN1KMT2ACYP3A4TDP1
SCHEMBL10476493 0.81 ADRA2A (0.38) TSHRMEN1KMT2ALMNACYP3A4
Ammonia Solution, Strong SCHEMBL9998504 0.81 MEN1 (0.38) MEN1KMT2ATDP1ALDH1A1
SCHEMBL13133074 0.81 TSHR (0.48) TSHRMEN1KMT2ALMNACYP3A4
SCHEMBL27101970 0.81 TSHR (0.38) TSHRMEN1KMT2ALMNACYP3A4
SCHEMBL28668643 0.79
SCHEMBL10010639 0.79 MAPT (0.44) TSHRMEN1KMT2ALMNACYP3A4
SCHEMBL10012763 0.79 MAPT (0.40) TSHRMEN1KMT2ALMNACYP3A4

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