SCHEMBL17456476

SCHEMBL17456476

C#CCOS(=O)(=O)[O-].C#CCOS(=O)(=O)[O-].[Mg+2]

nearest known ligand 0.35

Known targets — ChEMBL curated mechanism

ATP4AATP4BGABBR1GABBR2HMGCR

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.35
CA9 Q16790 3/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA4 P22748 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
RECQL P46063 2/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
EPHX2 P34913 1/20 0.32
BLM P54132 1/20 0.32
NPC1 O15118 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
Lithium Ion SCHEMBL17456420 0.95
SCHEMBL17456413 0.95
SCHEMBL17456387 0.81 RECQL (0.33) RECQLGLAHPGDTSHRMAPK1
SCHEMBL2106358 0.75 CA2 (0.39) CA2CA9CA12CA1CA4
Lithium Ion SCHEMBL17456575 0.72 RECQL (0.34) RECQLGLAHPGDTSHRMAPK1
SCHEMBL14141698 0.70 CA2 (0.36) CA2CA9CA12CA1CA4
SCHEMBL28312700 0.70
SCHEMBL14052971 0.70 CA2 (0.36) CA2CA9CA12CA1CA4
SCHEMBL16140148 0.70
SCHEMBL312642 0.70

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
US-9934911-B2 Nonaqueous electrolyte solution and electricity storage device using same UBE INDUSTRIES, LTD. (JP) 2018-04-03 US disclosed
EP-2983233-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTRICITY STORAGE DEVICE USING SAME UBE Industries, Ltd. (JP) 2016-02-10 EP disclosed
US-20160027592-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTRICITY STORAGE DEVICE USING SAME UBE INDUSTRIES, LTD. (JP) 2016-01-28 US disclosed