SCHEMBL16865154

SCHEMBL16865154

CC1CC1(C#N)C(=O)OCCOC(=O)C1(C#N)CC1C

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL16865199 0.93 NPSR1 (0.30) NPSR1
SCHEMBL16865183 0.91 NAAA (0.32) ALDH1A1
SCHEMBL14435631 0.87 ALDH1A1 (0.36) ALDH1A1
SCHEMBL5435193 0.87 ALDH1A1 (0.36) ALDH1A1
SCHEMBL16865163 0.84 POLB (0.34)
SCHEMBL16865150 0.82
SCHEMBL16865165 0.80 JAK2 (0.31)
SCHEMBL16865175 0.79 PRKCA (0.31)
SCHEMBL10073885 0.76 CTSK (0.33) ALDH1A1
SCHEMBL16865204 0.75

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 1 patent. 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