SCHEMBL4611284

SCHEMBL4611284

C=C(C)C(=O)P(=O)(OC(C)C)OC(C)C.C=C(C)C(=O)P(=O)(OCCC)OCCC

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
TSHR P16473 3/20 0.31
BTN3A1 O00481 1/20 0.30
LPAR3 Q9UBY5 3/20 0.30
LPAR1 Q92633 2/20 0.30
LPAR2 Q9HBW0 2/20 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
SCHEMBL27480779 0.88 TSHR (0.37) ALDH1A1TSHRBTN3A1LPAR3LPAR1
SCHEMBL4611582 0.80 ALDH1A1 (0.34) ALDH1A1
SCHEMBL4609944 0.78 CYP3A4 (0.48) ALDH1A1TSHRLPAR3LPAR1LPAR2
SCHEMBL4610930 0.75 ALDH1A1 (0.33) ALDH1A1
SCHEMBL4610151 0.75 ALDH1A1 (0.33) ALDH1A1
SCHEMBL4610641 0.74 TSHR (0.33) ALDH1A1TSHR
SCHEMBL4609828 0.73 ALDH1A1 (0.33) ALDH1A1
SCHEMBL491379 0.73 CA12 (0.44) ALDH1A1TSHRBTN3A1
SCHEMBL4609603 0.72 ALDH1A1 (0.32) ALDH1A1
SCHEMBL4612204 0.72 TSHR (0.48) ALDH1A1TSHRBTN3A1

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