SCHEMBL16865203

SCHEMBL16865203

N#CC1(C(=O)OCCCCCCOC(=O)C2(C#N)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
EPHX1 P07099 1/20 0.33
NAAA Q02083 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
SCHEMBL16865171 0.94
SCHEMBL16865193 0.90
SCHEMBL16865192 0.84 ALDH1A1 (0.33) ALDH1A1CYP3A4TSHR
SCHEMBL15960844 0.81 TSHR (0.34) TSHR
SCHEMBL15960833 0.78 ACACB (0.32)
SCHEMBL102472 0.78 POLB (0.41) ALDH1A1TSHR
SCHEMBL18621789 0.77 DPP4 (0.34) ALDH1A1CYP3A4TSHR
SCHEMBL5357320 0.77 LMNA (0.44) ALDH1A1CYP3A4TSHREPHX1
SCHEMBL16865172 0.76
SCHEMBL16865151 0.75 ALDH1A1 (0.32) 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