SCHEMBL16865151

SCHEMBL16865151

N#CC1(C(=O)OCCn2c(=O)n(CCOC(=O)C3(C#N)CC3)c(=O)n(CCOC(=O)C3(C#N)CC3)c2=O)CC1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GAA P10253 1/20 0.30
MAPK1 P28482 1/20 0.30
ADORA2B P29275 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
SCHEMBL16865193 0.80
SCHEMBL16865171 0.77
SCHEMBL16865203 0.75 ALDH1A1 (0.33) ALDH1A1
SCHEMBL16865192 0.75 ALDH1A1 (0.33) ALDH1A1SIGMAR1
SCHEMBL15960844 0.73 TSHR (0.34)
SCHEMBL15960833 0.70 ACACB (0.32)
SCHEMBL102472 0.70 POLB (0.41) ALDH1A1MEN1KMT2AGAA
SCHEMBL18621789 0.69 DPP4 (0.34) ALDH1A1SIGMAR1
SCHEMBL16865172 0.68
SCHEMBL13756088 0.68 THRB (0.46) ALDH1A1

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
US-20150188193-A1 NON-AQUEOUS LIQUID ELECTROLYTE FOR SECONDARY BATTERY AND SECONDARY BATTERY FUJIFILM CORPORATION (JP) 2015-07-02 US disclosed
US-20150188193-A1 NON-AQUEOUS LIQUID ELECTROLYTE FOR SECONDARY BATTERY AND SECONDARY BATTERY FUJIFILM CORPORATION (JP) 2015-07-02 US disclosed