SCHEMBL16199512

SCHEMBL16199512

C=CCC(C#N)(CCC#N)CCC#N

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL21842109 0.90 ALDH1A1 (0.37) ALDH1A1
SCHEMBL20710952 0.79 ALDH1A1 (0.33) ALDH1A1
SCHEMBL24636720 0.79 ALDH1A1 (0.44) ALDH1A1TDP1
SCHEMBL17935756 0.76 ALDH1A1 (0.41) ALDH1A1TDP1
SCHEMBL18116794 0.72 ALDH1A1 (0.37) ALDH1A1TDP1
SCHEMBL10784639 0.71 TSHR (0.32)
SCHEMBL9266360 0.71 ALDH1A1 (0.39) ALDH1A1NPSR1
SCHEMBL9676378 0.71 ALDH1A1 (0.39) ALDH1A1
SCHEMBL5701305 0.70 LOX (0.41) ALDH1A1TDP1
SCHEMBL10786040 0.70 ALDH1A1 (0.31) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2796926-B1 Organic electrolytic solution comprising an additive, and lithium battery comprising the organic electrolytic solution SAMSUNG SDI CO LTD (KR) 2020-03-18 EP disclosed
US-9406974-B2 Additive for electrolyte of lithium battery, organic electrolytic solution comprising the same, and lithium battery using the organic electrolytic solution SAMSUNG SDI CO., LTD. (KR) 2016-08-02 US disclosed
US-20140322596-A1 ADDITIVE FOR ELECTROLYTE OF LITHIUM BATTERY, ORGANIC ELECTROLYTIC SOLUTION COMPRISING THE SAME, AND LITHIUM BATTERY USING THE ORGANIC ELECTROLYTIC SOLUTION SAMSUNG SDI CO., LTD. (KR) 2014-10-30 US disclosed
EP-2796926-A2 Additive for an electrolyte for a lithium battery, organic electrolytic solution comprising the same, and lithium battery comprising the organic electrolytic solution Samsung SDI Co., Ltd. (KR) 2014-10-29 EP disclosed