SCHEMBL1791121

SCHEMBL1791121

O=P(Oc1cc(C2CCCCC2)cc(C2CCCCC2)c1)(Oc1cc(C2CCCCC2)cc(C2CCCCC2)c1)Oc1cc(C2CCCCC2)cc(C2CCCCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
CYP3A4 P08684 2/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
KMO O15229 1/20 0.36
ACMSD Q8TDX5 2/20 0.35
HDAC8 Q9BY41 3/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC1 Q13547 1/20 0.34
HSP90AA1 P07900 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
EPHX2 P34913 2/20 0.33
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
DAO P14920 1/20 0.32
CYP11B2 P19099 1/20 0.32
INPPL1 O15357 1/20 0.32

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
SCHEMBL1786920 0.98 CYP3A4 (0.43) TDP1CYP3A4TSHRALDH1A1MAPK1
SCHEMBL31012115 0.84 KMO (0.49) KMOACMSDHDAC8HDAC4HDAC2
SCHEMBL1787743 0.84 KMO (0.49) KMOACMSDHDAC8HDAC4HDAC2
SCHEMBL29402836 0.84 KMO (0.49) KMOACMSDHDAC8HDAC4HDAC2
SCHEMBL1790464 0.82 CYP3A4 (0.45) TDP1CYP3A4TSHRALDH1A1ACMSD
SCHEMBL1791124 0.82 HDAC4 (0.47) KMOACMSDHDAC8HDAC4HDAC2
SCHEMBL16270485 0.81 HAO1 (0.40) TDP1KMOACMSDHDAC8HSP90AA1
SCHEMBL1788780 0.80 CYP3A4 (0.47) TDP1CYP3A4TSHRALDH1A1ACMSD
SCHEMBL778084 0.75 CYP11B2 (0.46) TDP1KMOACMSDHDAC8HDAC6
SCHEMBL22870503 0.72 HTR2C (0.46) TSHRALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2249426-B1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY MITSUBISHI CHEM CORP (JP) 2019-07-10 EP disclosed
US-9083058-B2 Nonaqueous electrolytic solution and nonaqueous-electrolyte battery MITSUBISHI CHEMICAL CORPORATION (JP) 2015-07-14 US disclosed
US-8916298-B2 Nonaqueous electrolytic solution and nonaqueous-electrolyte battery MITSUBISHI CHEMICAL CORPORATION (JP) 2014-12-23 US disclosed
US-8889302-B2 Nonaqueous electrolytic solution and nonaqueous-electrolyte battery MITSUBISHI CHEMICAL CORPORATION (JP) 2014-11-18 US disclosed
US-8846254-B2 2014-09-30 US disclosed
US-20140134481-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2014-05-15 US disclosed
US-20120308883-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-12-06 US disclosed
US-20120219854-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-30 US disclosed
US-20110123871-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY MITSUBISHI CHEMCIAL (JP) 2011-05-26 US disclosed
EP-2249426-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY Mitsubishi Chemical Corporation (JP) 2010-11-10 EP disclosed