SCHEMBL14955490

SCHEMBL14955490

C#CC(CC(C#C)S(=O)(=O)O)S(=O)(=O)O

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL6721961 0.75 HDAC1 (0.36)
SCHEMBL27936289 0.69
SCHEMBL22260774 0.67 CA5A (0.31)
SCHEMBL8758998 0.65
SCHEMBL2582066 0.63
SCHEMBL6721812 0.59
SCHEMBL6718216 0.59
SCHEMBL16594126 0.59
SCHEMBL20876138 0.59
SCHEMBL300187 0.57

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2602856-B1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY USING SAME WAKO PURE CHEM IND LTD (JP) 2017-02-22 EP disclosed
US-9257720-B2 Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2016-02-09 US disclosed
US-20150244028-A1 NONAQUEOUS SECONDARY CELL, AND FIRE-RETARDANT AGENT AND ADDITIVE FOR NONAQUEOUS SECONDARY CELL WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2015-08-27 US disclosed
EP-2602856-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY USING SAME Wako Pure Chemical Industries, Ltd. (JP) 2013-06-12 EP disclosed
US-20130130128-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY USING SAME WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2013-05-23 US disclosed