SCHEMBL20348151

SCHEMBL20348151

CCOC(=O)C(C#N)CCF

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
GAA P10253 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 2/20 0.36
LMNA P02545 2/20 0.36
CPB2 Q96IY4 1/20 0.35
HSD17B10 Q99714 1/20 0.34
ALOX15 P16050 1/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
CYP2C9 P11712 1/20 0.33
SOAT1 P35610 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 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
SCHEMBL11273438 0.86 CPB2 (0.41) ALDH1A1TSHRMEN1KMT2AGAA
SCHEMBL9183202 0.86 ALDH1A1 (0.39) ALDH1A1TSHRMEN1KMT2AGAA
SCHEMBL9562158 0.82 CA2 (0.40) ALDH1A1TSHRMEN1KMT2AGAA
SCHEMBL28222229 0.82 ALDH1A1 (0.37) ALDH1A1TSHRMEN1KMT2AGAA
SCHEMBL10902100 0.81 ALDH1A1 (0.42) ALDH1A1TSHRMEN1KMT2AGAA
SCHEMBL10920266 0.81 ALDH1A1 (0.42) ALDH1A1TSHRMEN1KMT2AGAA
SCHEMBL28435183 0.81 KMT2A (0.44) ALDH1A1TSHRMEN1KMT2AGAA
SCHEMBL28662035 0.81 ALDH1A1 (0.36) ALDH1A1TSHRMEN1KMT2AGAA
SCHEMBL1325862 0.81 ZDHHC7 (0.41) ALDH1A1TSHRMEN1KMT2AGAA
SCHEMBL10855353 0.81 MEN1 (0.37) ALDH1A1TSHRMEN1KMT2AGAA

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
EP-3370296-B1 NON-AQUEOUS ELECTROLYTE ADDITIVE, NON-AQUEOUS ELECTROLYTE COMPRISING THE SAME, AND LITHIUM SECONDARY BATTERY INCLUDING THE NON-AQUEOUS ELECTROLYTE LG CHEMICAL LTD (KR) 2020-06-17 EP disclosed
US-10454138-B2 Non-aqueous electrolyte additive, non-aqueous electrolyte comprising the same, and lithium secondary battery including non-aqueous electrolyte LG CHEM, LTD. (KR) 2019-10-22 US disclosed
US-20180191031-A1 NON-AQUEOUS ELECTROLYTE ADDITIVE, NON-AQUEOUS ELECTROLYTE COMPRISING THE SAME, AND LITHIUM SECONDARY BATTERY INCLUDING NON-AQUEOUS ELECTROLYTE LG CHEM, LTD. (KR) 2018-07-05 US disclosed
US-20180191031-A1 NON-AQUEOUS ELECTROLYTE ADDITIVE, NON-AQUEOUS ELECTROLYTE COMPRISING THE SAME, AND LITHIUM SECONDARY BATTERY INCLUDING NON-AQUEOUS ELECTROLYTE LG CHEM, LTD. (KR) 2018-07-05 US disclosed