SCHEMBL4611205

SCHEMBL4611205

C=C(C)C(=O)P(=O)(OC1CCC1)OC1CCC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.36
NPSR1 Q6W5P4 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MMP2 P08253 1/20 0.31
MMP8 P22894 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
SCHEMBL4611020 0.96 ACHE (0.40) ACHENPSR1MEN1KMT2AALDH1A1
SCHEMBL4611584 0.94 ACHE (0.43) ACHENPSR1MEN1KMT2AALDH1A1
SCHEMBL4611069 0.79 ACHE (0.41) ACHENPSR1MEN1KMT2AMMP2
SCHEMBL4611200 0.75 ACHE (0.45) ACHENPSR1MEN1KMT2AMMP2
SCHEMBL7048419 0.74 ACHE (0.48) ACHENPSR1MEN1KMT2AMMP2
SCHEMBL4609962 0.71 ACHE (0.37) ACHENPSR1MEN1KMT2A
SCHEMBL4610304 0.71 NPSR1 (0.38) ACHENPSR1MEN1KMT2AMMP2
SCHEMBL4610971 0.71 ACHE (0.37) ACHENPSR1MEN1KMT2A
SCHEMBL4612129 0.71 ACHE (0.33) ACHE
SCHEMBL28667418 0.69 ACHE (0.44) ACHENPSR1MEN1KMT2AMMP2

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
EP-1419182-B1 IRON-BASED CATALYST COMPOSITION FOR THE MANUFACTURE OF SYNDIOTACTIC 1,2-POLYBUTADIENE BRIDGESTONE CORP (JP) 2008-10-15 EP 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