SCHEMBL3963727

SCHEMBL3963727

CCCCC(CC)CP(=O)([O-])CC(CC)CCCC.CCCCC(CC)CP(=O)([O-])CC(CC)CCCC.[Fe+2]

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CA2 P00918 4/20 0.46
ALDH1A1 P00352 5/20 0.45
TDP1 Q9NUW8 2/20 0.45
TSHR P16473 4/20 0.43
FDPS P14324 2/20 0.39
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.33

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
SCHEMBL29817522 0.96 CYP3A4 (0.50) CYP3A4L3MBTL1CA2ALDH1A1TDP1
SCHEMBL154360 0.96 CYP3A4 (0.50) CYP3A4L3MBTL1CA2ALDH1A1TDP1
SCHEMBL641158 0.96 CYP3A4 (0.50) CYP3A4L3MBTL1CA2ALDH1A1TDP1
SCHEMBL673441 0.96 CYP3A4 (0.50) CYP3A4L3MBTL1CA2ALDH1A1TDP1
SCHEMBL674508 0.96 ALDH1A1 (0.50) CYP3A4L3MBTL1CA2ALDH1A1TDP1
SCHEMBL18148994 0.96 CYP3A4 (0.50) CYP3A4L3MBTL1CA2ALDH1A1TDP1
SCHEMBL674510 0.96 CYP3A4 (0.50) CYP3A4L3MBTL1CA2ALDH1A1TDP1
SCHEMBL18148977 0.96 CYP3A4 (0.50) CYP3A4L3MBTL1CA2ALDH1A1TDP1
SCHEMBL3967221 0.96 CYP3A4 (0.50) CYP3A4L3MBTL1CA2ALDH1A1TDP1
SCHEMBL3960941 0.90 CYP3A4 (0.46) CYP3A4L3MBTL1CA2ALDH1A1TDP1

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 12 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
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-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
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-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