SCHEMBL3963455

SCHEMBL3963455

O=P(O)(Oc1ccccc1)c1ccccc1.[Fe]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.64
CA4 P22748 3/20 0.64
CA5A P35218 3/20 0.64
CA12 O43570 2/20 0.64
CA1 P00915 2/20 0.64
CA7 P43166 2/20 0.64
CA9 Q16790 2/20 0.64
CA5B Q9Y2D0 2/20 0.64
SRC P12931 1/20 0.61
L3MBTL1 Q9Y468 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
CFTR P13569 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ANPEP P15144 2/20 0.43
LAP3 P28838 2/20 0.43
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 1/20 0.42

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 SCHEMBL28297820 0.98 CA2 (0.66) CA2CA4CA5ACA12CA1
SCHEMBL752987 0.98 CA2 (0.66) CA2CA4CA5ACA12CA1
SCHEMBL672612 0.96 CA2 (0.64) CA2CA4CA5ACA12CA1
SCHEMBL28825799 0.96 CA2 (0.64) CA2CA4CA5ACA12CA1
SCHEMBL28773138 0.96 CA2 (0.64) CA2CA4CA5ACA12CA1
SCHEMBL639056 0.96 CA2 (0.64) CA2CA4CA5ACA12CA1
SCHEMBL149682 0.96 CA2 (0.64) CA2CA4CA5ACA12CA1
Hydrochloric Acid SCHEMBL5100853 0.96 CA2 (0.64) CA2CA4CA5ACA12CA1
SCHEMBL9584229 0.96 CA2 (0.64) CA2CA4CA5ACA12CA1
SCHEMBL673830 0.96 CA2 (0.64) CA2CA4CA5ACA12CA1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109467845-A A kind of fire-retardant and smoke-inhibiting type PVC composite material and preparation method 华北科技学院 2019-03-15 CN claimed
CN-114957321-B Iron complex and preparation method and application thereof 北京建筑材料科学研究总院有限公司 2025-03-07 CN disclosed
CN-114957321-A Iron complex and preparation method and application thereof 北京建筑材料科学研究总院有限公司 2022-08-30 CN disclosed
CN-109467845-A A kind of fire-retardant and smoke-inhibiting type PVC composite material and preparation method 华北科技学院 2019-03-15 CN disclosed
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
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
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-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
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