SCHEMBL3960944

SCHEMBL3960944

CCCCC(CC)CP(=O)(O)CCCC.[Fe]

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GABBR2 O75899 1/20 0.46
GABRR1 P24046 1/20 0.46
GABBR1 Q9UBS5 1/20 0.46
ALDH1A1 P00352 3/20 0.45
FDPS P14324 5/20 0.44
CA2 P00918 2/20 0.42
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 2/20 0.39
ATM Q13315 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.38

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
SCHEMBL4706907 0.98 CYP3A4 (0.47) CYP3A4L3MBTL1GABBR2GABRR1GABBR1
SCHEMBL673379 0.96 CYP3A4 (0.46) CYP3A4L3MBTL1GABBR2GABRR1GABBR1
SCHEMBL212573 0.96 CYP3A4 (0.46) CYP3A4L3MBTL1GABBR2GABRR1GABBR1
SCHEMBL672724 0.96 CYP3A4 (0.46) CYP3A4L3MBTL1GABBR2GABRR1GABBR1
SCHEMBL2701883 0.96 CYP3A4 (0.46) CYP3A4L3MBTL1GABBR2GABRR1GABBR1
SCHEMBL9622654 0.93 CYP3A4 (0.46) CYP3A4L3MBTL1GABBR2GABRR1GABBR1
SCHEMBL30844479 0.91 LPAR3 (0.48) CYP3A4L3MBTL1ALDH1A1FDPSTRPM8
SCHEMBL10419775 0.91 CYP3A4 (0.47) CYP3A4L3MBTL1GABBR2GABRR1GABBR1
SCHEMBL228798 0.88 ALDH1A1 (0.52) CYP3A4L3MBTL1ALDH1A1FDPSCA2
SCHEMBL641159 0.86 ALDH1A1 (0.50) CYP3A4L3MBTL1ALDH1A1FDPSCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10035908-B1 Process for preparing blends of trans-1,4-polybutadiene and syndiotactic 1,2-polybutadiene BRIDGESTONE CORPORATION (JP) 2018-07-31 US disclosed
EP-1476480-B1 POLYMERIZATION PROCESS FOR PREPARING SYNDIOTACTIC 1,2-POLYBUTADIENE BRIDGESTONE CORP (JP) 2009-07-22 EP disclosed
EP-1419182-B1 IRON-BASED CATALYST COMPOSITION FOR THE MANUFACTURE OF SYNDIOTACTIC 1,2-POLYBUTADIENE BRIDGESTONE CORP (JP) 2008-10-15 EP disclosed
EP-1476480-A1 POLYMERIZATION PROCESS FOR PREPARING SYNDIOTACTIC 1,2-POLYBUTADIENE Bridgestone Corporation (JP) 2004-11-17 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-6720397-B2 Using supersaturation solutiton and iron coordination catalyst BRIDGESTONE CORPORATION (JP) 2004-04-13 US disclosed
US-6627712-B2 Reaction product of an iron-containing compound, a silyl phosphonate, and an organoaluminum compound to polymerize 1,3-butadiene into syndiotactic 1,2-polybutadiene BRIDGESTONE CORPORATION (JP) 2003-09-30 US disclosed
WO-2003072617-A1 POLYMERIZATION PROCESS FOR PREPARING SYNDIOTACTIC 1,2-POLYBUTADIENE BRIDGESTONE CORPORATION (JP) 2003-09-04 WO disclosed
US-6610804-B2 An iron compound, an alpha-acylphosphonate diester, and an organoaluminum compound BRIDGESTONE CORPORATION (JP) 2003-08-26 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
US-20020156210-A1 Manufacture of conjugated diene polymers by using an iron-based catalyst composition BRIDGESTONE CORP. 2002-10-24 US disclosed
WO-2002066554-A1 MANUFACTURE OF BLENDS OF SYNDIOTACTIC 1,2-POLYBUTADIENE AND RUBBERY ELASTOMERS BRIDGESTONE CORPORATION (JP) 2002-08-29 WO disclosed
US-6433237-B1 USING COORDINATION CATALYST BRIDGESTONE CORPORATION (JP) 2002-08-13 US disclosed
US-6320004-B1 FORMED BY COMBINING (A) A IRON-CONTAINING COMPOUND; (B) AN ORGANOMAGNESIUM COMPOUND; AND (C) A SILYL PHOSPHONATE; POLYMERIZING CONJUGATED DIENE MONOMERS BRIDGESTONE CORPORATION (JP) 2001-11-20 US disclosed