SCHEMBL4609962

SCHEMBL4609962

CCC(=O)P(=O)(OC1CCC1)OC1CCC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.37
EPHX1 P07099 1/20 0.35
NAAA Q02083 2/20 0.33
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL4610681 0.96 ACHE (0.41) ACHEEPHX1NAAANPSR1MEN1
SCHEMBL4610863 0.94 ACHE (0.44) ACHEEPHX1NAAANPSR1MEN1
SCHEMBL4612143 0.85 NAAA (0.39) ACHEEPHX1NAAANPSR1MEN1
SCHEMBL4611377 0.81 NAAA (0.42) ACHEEPHX1NAAANPSR1MEN1
SCHEMBL4611267 0.79 NAAA (0.44) ACHEEPHX1NAAANPSR1MEN1
SCHEMBL4611069 0.77 ACHE (0.41) ACHEEPHX1NPSR1MEN1KMT2A
SCHEMBL4611200 0.72 ACHE (0.45) ACHEEPHX1NAAANPSR1MEN1
SCHEMBL4610304 0.72 NPSR1 (0.38) ACHENPSR1MEN1KMT2A
SCHEMBL4610971 0.72 ACHE (0.37) ACHENPSR1MEN1KMT2A
SCHEMBL7048419 0.71 ACHE (0.48) ACHEEPHX1NAAANPSR1MEN1

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