SCHEMBL28400441

SCHEMBL28400441

CC(=O)OCC(C#N)C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 8/20 0.40
LMNA P02545 2/20 0.40
HSD17B10 Q99714 1/20 0.40
USP2 O75604 3/20 0.35
CYP3A4 P08684 3/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.33
TSHR P16473 3/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
PGR P06401 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
HTR1A P08908 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
SCHEMBL2343529 0.80 ALDH1A1 (0.33) ALDH1A1
SCHEMBL24503497 0.79 TSHR (0.30) TSHR
SCHEMBL29059739 0.79
SCHEMBL31186838 0.79 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL585285 0.79
SCHEMBL2343532 0.78
SCHEMBL28394176 0.77
SCHEMBL31572356 0.77
SCHEMBL23489133 0.77 NAAA (0.38) TDP1ALDH1A1LMNACYP3A4MAPT
Hydrochloric Acid SCHEMBL6497169 0.76

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-117015893-A Nonaqueous electrolyte secondary battery and method for manufacturing nonaqueous electrolyte secondary battery 松下新能源株式会社 2023-11-07 CN disclosed
CN-110998957-B Nonaqueous electrolyte for battery and lithium secondary battery 三井化学株式会社 2023-03-24 CN disclosed
CN-111033865-A Lithium secondary battery and nonaqueous electrolyte 三井化学株式会社 2020-04-17 CN disclosed
CN-110998957-A Nonaqueous electrolyte for battery and lithium secondary battery 三井化学株式会社 2020-04-10 CN disclosed