SCHEMBL17258196

SCHEMBL17258196

C=CCC(F)(C(=C)C(=O)O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
TET2 Q6N021 1/20 0.34
HTT P42858 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
SCHEMBL9723013 0.84 ALDH1A1 (0.42) ALDH1A1TSHRTET2HTT
SCHEMBL11044584 0.83 ALDH1A1 (0.34) ALDH1A1TSHRTET2HTT
SCHEMBL12968589 0.79 ALDH1A1 (0.36) ALDH1A1TSHRTET2HTT
SCHEMBL16681682 0.77 ALDH1A1 (0.37) ALDH1A1TSHRHTT
SCHEMBL10887719 0.75 TET2 (0.32) ALDH1A1TSHRTET2HTT
SCHEMBL17975859 0.74 ALDH1A1 (0.38) ALDH1A1TSHRTET2HTT
SCHEMBL10457329 0.73 ALDH1A1 (0.35) ALDH1A1TSHRHTT
SCHEMBL363110 0.73 ALDH1A1 (0.36) ALDH1A1TSHRHTT
SCHEMBL11045477 0.72 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL10604493 0.71 ALDH1A1 (0.35) ALDH1A1TSHRTET2HTT

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-9640799-B2 Negative electrode active material for non-lithium secondary battery, method of preparing the same, negative electrode for non-lithium secondary battery including the same, and non-lithium secondary battery including the negative electrode SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-05-02 US disclosed
US-20150333326-A1 NEGATIVE ELECTRODE ACTIVE MATERIAL FOR NON-LITHIUM SECONDARY BATTERY, METHOD OF PREPARING THE SAME, NEGATIVE ELECTRODE FOR NON-LITHIUM SECONDARY BATTERY INCLUDING THE SAME, AND NON-LITHIUM SECONDARY BATTERY INCLUDING THE NEGATIVE ELECTRODE SAMSUNG ELECTRONICS CO., LTD. (KR) 2015-11-19 US disclosed