SCHEMBL3961989

SCHEMBL3961989

O=P(O)(Oc1ccccc1)Oc1ccccc1.[Fe]

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.70
L3MBTL1 Q9Y468 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
POLB P06746 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
GPR84 Q9NQS5 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ANPEP P15144 2/20 0.47
LAP3 P28838 2/20 0.47
TSHR P16473 1/20 0.45

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
Benzene SCHEMBL11142811 0.97 SRC (0.73) SRCL3MBTL1TDP1POLBALDH1A1
SCHEMBL27676341 0.97 SRC (0.73) SRCL3MBTL1TDP1POLBALDH1A1
SCHEMBL37038 0.97 SRC (0.73) SRCL3MBTL1TDP1POLBALDH1A1
SCHEMBL9583781 0.95 SRC (0.70) SRCL3MBTL1TDP1POLBALDH1A1
Phosphoric Acid SCHEMBL8142468 0.95 SRC (0.70) SRCL3MBTL1TDP1POLBALDH1A1
SCHEMBL23241864 0.95 SRC (0.70) SRCL3MBTL1TDP1POLBALDH1A1
Water SCHEMBL7104000 0.95 SRC (0.70) SRCL3MBTL1TDP1POLBALDH1A1
SCHEMBL150325 0.95 SRC (0.70) SRCL3MBTL1TDP1POLBALDH1A1
SCHEMBL11317985 0.95 SRC (0.70) SRCL3MBTL1TDP1POLBALDH1A1
Phosphoric Acid SCHEMBL2168208 0.95 SRC (0.70) SRCL3MBTL1TDP1POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-1293102-C Iron-based catalyst composition for producing syndiotactic 1, 2-polybutadiene BRIDGESTONE CORP (JP) 2007-01-03 CN disclosed
EP-1476480-A1 POLYMERIZATION PROCESS FOR PREPARING SYNDIOTACTIC 1,2-POLYBUTADIENE Bridgestone Corporation (JP) 2004-11-17 EP disclosed
CN-1527844-A Iron-based catalyst composition for the manufacture of syndiotactic 1.2-polybutadiene ������������ʽ���� 2004-09-08 CN 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-20030166802-A1 Polymerization process for preparing syndiotactic 1,2-polybutadiene BRIDGESTONE CORP. 2003-09-04 US 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
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