SCHEMBL3396119

SCHEMBL3396119

C=C(C)C(=O)OCCCCCCS(=O)(=O)O.[LiH]

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.61
POLB P06746 1/20 0.47
APEX1 P27695 1/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
THRB P10828 1/20 0.44
ALDH1A1 P00352 4/20 0.35
CYP3A4 P08684 1/20 0.33
EPHX2 P34913 1/20 0.33
APP P05067 1/20 0.32
NAAA Q02083 1/20 0.32
RAD52 P43351 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CA2 P00918 1/20 0.31
EPHX1 P07099 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
SCHEMBL17766339 0.98 TSHR (0.62) TSHRPOLBAPEX1HTTTDP1
SCHEMBL12923429 0.98 TSHR (0.62) TSHRPOLBAPEX1HTTTDP1
SCHEMBL16243719 0.98 TSHR (0.62) TSHRPOLBAPEX1HTTTDP1
SCHEMBL16243679 0.98 TSHR (0.62) TSHRPOLBAPEX1HTTTDP1
SCHEMBL16243764 0.98 TSHR (0.62) TSHRPOLBAPEX1HTTTDP1
SCHEMBL16243626 0.98 TSHR (0.62) TSHRPOLBAPEX1HTTTDP1
SCHEMBL16243620 0.98 TSHR (0.62) TSHRPOLBAPEX1HTTTDP1
SCHEMBL15901663 0.97 TSHR (0.61) TSHRPOLBAPEX1HTTTDP1
Ammonia Solution, Strong SCHEMBL18139884 0.97 TSHR (0.61) TSHRPOLBAPEX1HTTTDP1
SCHEMBL245212 0.96 TSHR (0.59) TSHRPOLBAPEX1HTTTDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102405551-A Electrolyte, battery using same and method of use of same, and electrolyte production method SONY CORP 2012-04-04 CN disclosed
US-20110318614-A1 ELECTROLYTE, BATTERY USING SAME, AND METHOD OF USING SAME, AND METHOD FOR PRODUCING ELECTROLYTE SONY CORPORATION (JP) 2011-12-29 US disclosed
WO-2010095533-A1 ELECTROLYTE, BATTERY USING SAME AND METHOD OF USE OF SAME, AND ELECTROLYTE PRODUCTION METHOD ソニー株式会社 (JP) 2010-08-26 WO disclosed