SCHEMBL4611200

SCHEMBL4611200

CC(=O)P(=O)(OC1CCCC1)OC1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.45
NPSR1 Q6W5P4 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
EPHX1 P07099 2/20 0.34
LMNA P02545 1/20 0.33
NAAA Q02083 2/20 0.32
HTT P42858 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
CA9 Q16790 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
SCHEMBL7048419 0.98 ACHE (0.48) ACHENPSR1MEN1KMT2AGAA
SCHEMBL4611069 0.95 ACHE (0.41) ACHENPSR1MEN1KMT2AGAA
SCHEMBL4611020 0.79 ACHE (0.40) ACHENPSR1MEN1KMT2AGAA
SCHEMBL4611584 0.78 ACHE (0.43) ACHENPSR1MEN1KMT2AGAA
SCHEMBL4609831 0.77 ACHE (0.41) ACHENPSR1MEN1KMT2AGAA
SCHEMBL4610681 0.77 ACHE (0.41) ACHENPSR1MEN1KMT2AGAA
SCHEMBL4612113 0.77 NPSR1 (0.41) ACHENPSR1MEN1KMT2AGAA
SCHEMBL28667418 0.76 ACHE (0.44) ACHENPSR1MEN1KMT2AGAA
SCHEMBL4611558 0.75 ACHE (0.44) ACHENPSR1MEN1KMT2AGAA
SCHEMBL4610863 0.75 ACHE (0.44) ACHENPSR1MEN1KMT2AGAA

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-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