SCHEMBL6926904

SCHEMBL6926904

O=S(=O)(CCc1ccccc1F)CCc1ccccc1F

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.56
LMNA P02545 2/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
ALDH1A1 P00352 2/20 0.51
AOC3 Q16853 1/20 0.46
DAO P14920 3/20 0.42
IDO1 P14902 2/20 0.42
MPO P05164 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
GAA P10253 1/20 0.40
RECQL P46063 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1B1 P15121 1/20 0.39

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
SCHEMBL777720 0.90 TAAR1 (0.50) TAAR1LMNAKMT2AMEN1ALDH1A1
SCHEMBL3511687 0.88 TAAR1 (0.52) TAAR1LMNAKMT2AMEN1ALDH1A1
SCHEMBL31452193 0.83 TAAR1 (0.52) TAAR1LMNAKMT2AMEN1ALDH1A1
SCHEMBL776466 0.83 TAAR1 (0.52) TAAR1LMNAKMT2AMEN1ALDH1A1
SCHEMBL4881315 0.83 TAAR1 (0.57) TAAR1LMNAKMT2AMEN1ALDH1A1
SCHEMBL3257217 0.83 TAAR1 (0.52) TAAR1LMNAKMT2AMEN1ALDH1A1
SCHEMBL6929130 0.83 AKR1B1 (0.42) TAAR1LMNAKMT2AMEN1ALDH1A1
SCHEMBL10153838 0.79 TAAR1 (0.55) TAAR1LMNAKMT2AMEN1ALDH1A1
SCHEMBL8526001 0.78 TAAR1 (0.75) TAAR1LMNAALDH1A1AOC3DAO
SCHEMBL29468654 0.77 ALDH1A1 (0.65) TAAR1LMNAKMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103259044-B Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEMICAL CORP. (JP) 2016-02-10 CN disclosed
CN-102097654-B Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEMICAL CORP. (JP) 2014-10-01 CN disclosed
CN-103259044-A Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEM CORP 2013-08-21 CN disclosed
CN-101432923-B Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEM CORP 2012-04-18 CN disclosed
CN-102097654-A Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEM CORP 2011-06-15 CN disclosed
CN-101432923-A Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEM CORP (JP) 2009-05-13 CN disclosed
US-6518264-B2 For treatment/prevention of psychoses, other brain disorders, and cardiovascular disorders AVENTIS PHARMA S.A. (FR) 2003-02-11 US disclosed