SCHEMBL4611252

SCHEMBL4611252

CCCCC(CC)C(=O)P(=O)(O)O

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.59
MAPK1 P28482 1/20 0.59
CA1 P00915 4/20 0.57
FDPS P14324 6/20 0.50
USP2 O75604 1/20 0.44
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
LAP3 P28838 1/20 0.41

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
SCHEMBL28211137 0.92 FDPS (0.53) CA2MAPK1CA1FDPSLAP3
SCHEMBL16987200 0.87 FDPS (0.54) CA2FDPSSLC1A2SLC1A1LAP3
SCHEMBL16987203 0.85 FDPS (0.55) CA2FDPSLAP3
SCHEMBL16987214 0.85 FDPS (0.55) CA2FDPSLAP3
SCHEMBL4305118 0.84 MMP1 (0.44) CA2MAPK1CA1FDPSUSP2
2-Ethylhexanoic Acid SCHEMBL3655140 0.81 CA2 (0.83) CA2MAPK1CA1FDPSUSP2
SCHEMBL4612064 0.80 CA2 (0.56) CA2MAPK1CA1FDPSUSP2
SCHEMBL6902244 0.80 CA2 (0.47) CA2MAPK1CA1FDPSUSP2
SCHEMBL4612488 0.79 CA2 (0.50) CA2MAPK1CA1FDPSUSP2
2-Ethylhexanoic Acid SCHEMBL11847103 0.78 CA2 (0.78) CA2MAPK1CA1FDPSUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1293102-C Iron-based catalyst composition for producing syndiotactic 1, 2-polybutadiene BRIDGESTONE CORP (JP) 2007-01-03 CN claimed
CN-1527844-A Iron-based catalyst composition for the manufacture of syndiotactic 1.2-polybutadiene ������������ʽ���� 2004-09-08 CN claimed
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-20030073570-A1 Method of preparing oligomers of conjugated dienes with an iron-based catalyst composition BRIDGESTONE CORP. 2003-04-17 US disclosed
US-20030073790-A1 Iron-based catalyst composition for the manufacture of syndiotactic 1, 2-polybutadiene 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