SCHEMBL4611366

SCHEMBL4611366

C=CC(=O)P(=O)(OC(C)(C)C)OC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL4612109 0.76
SCHEMBL4612104 0.76
SCHEMBL2976380 0.73 ALDH1A1 (0.36) ALDH1A1
SCHEMBL4609956 0.72 THRA (0.31) ALDH1A1
SCHEMBL4611197 0.70
SCHEMBL4612125 0.69
SCHEMBL28070858 0.68 TSHR (0.31) ALDH1A1
SCHEMBL2988966 0.68 CA12 (0.44) ALDH1A1
SCHEMBL4612179 0.68 ALDH1A1 (0.32) ALDH1A1
Acrylic Acid SCHEMBL27562214 0.67 LMNA (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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