SCHEMBL2990571

SCHEMBL2990571

CCCC(=O)P(=O)(OC)OC

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
HDAC3 O15379 4/20 0.38
HDAC1 Q13547 4/20 0.38
HDAC2 Q92769 4/20 0.38
HDAC8 Q9BY41 4/20 0.38
FFAR3 O14843 3/20 0.38
TSHR P16473 2/20 0.36
HDAC6 Q9UBN7 1/20 0.33
CTSD P07339 1/20 0.32
FAAH O00519 1/20 0.31

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
SCHEMBL8055772 0.86 CES1 (0.44) ALDH1A1CES2CES1TSHRFAAH
SCHEMBL19285769 0.84 CES2 (0.46) ALDH1A1CES2CES1TSHR
SCHEMBL19285720 0.82 CES2 (0.48) ALDH1A1CES2CES1TSHR
SCHEMBL31187771 0.82 CES2 (0.48) ALDH1A1CES2CES1TSHR
SCHEMBL9331501 0.82 TSHR (0.42) ALDH1A1LMNATSHR
SCHEMBL9331605 0.82 ALDH1A1 (0.39) ALDH1A1LMNACES2CES1TSHR
SCHEMBL9335001 0.80 ALDH1A1 (0.43) ALDH1A1LMNACES2CES1TSHR
SCHEMBL2993052 0.79 TDP1 (0.33) ALDH1A1LMNAFFAR3TSHR
SCHEMBL2984011 0.78 CA12 (0.45) ALDH1A1CES2CES1HDAC3HDAC1
SCHEMBL6378882 0.78 LMNA (0.32) LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962192-B2 Nonaqueous electrolytic solution and nonaqueous electrolyte battery MITSUBISHI CHEMICAL CORPORATION (JP) 2015-02-24 US disclosed
US-8574757-B2 Nonaqueous electrolytic solution and nonaqueous electrolyte battery MITSUBISHI CHEMICAL CORPORATION (JP) 2013-11-05 US disclosed
CN-102780038-A Nonaqueous electrolyte battery MITSUBISHI CHEM CORP 2012-11-14 CN disclosed
US-20120264011-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-10-18 US disclosed
US-20100035147-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2010-02-11 US disclosed
CN-101622751-A Nonaqueous electrolyte solution and nonaqueous electrolyte battery MITSUBISHI CHEM CORP 2010-01-06 CN disclosed
EP-1419182-B1 IRON-BASED CATALYST COMPOSITION FOR THE MANUFACTURE OF SYNDIOTACTIC 1,2-POLYBUTADIENE BRIDGESTONE CORP (JP) 2008-10-15 EP disclosed
CN-1293102-C Iron-based catalyst composition for producing syndiotactic 1, 2-polybutadiene BRIDGESTONE CORP (JP) 2007-01-03 CN disclosed
CN-1527844-A Iron-based catalyst composition for the manufacture of syndiotactic 1.2-polybutadiene ������������ʽ���� 2004-09-08 CN disclosed
EP-1419182-A1 IRON-BASED CATALYST COMPOSITION FOR THE MANUFACTURE OF SYNDIOTACTIC 1,2-POLYBUTADIENE Bridgestone Corporation (JP) 2004-05-19 EP disclosed
US-6610804-B2 An iron compound, an alpha-acylphosphonate diester, and an organoaluminum compound BRIDGESTONE CORPORATION (JP) 2003-08-26 US disclosed
US-6576725-B1 Iron compound, organomagnesium compound, and alpha-acylphosphonate diester; addition polymerization BRIDGESTONE CORPORATION (JP) 2003-06-10 US disclosed
US-20030073790-A1 Iron-based catalyst composition for the manufacture of syndiotactic 1, 2-polybutadiene BRIDGESTONE CORP. 2003-04-17 US disclosed
US-20030073570-A1 Method of preparing oligomers of conjugated dienes with an iron-based catalyst composition BRIDGESTONE CORP. 2003-04-17 US disclosed
WO-2003018644-A1 IRON-BASED CATALYST COMPOSITION FOR THE MANUFACTURE OF SYNDIOTACTIC 1,2-POLYBUTADIENE BRIDGESTONE CORPORATION (JP) 2003-03-06 WO disclosed