SCHEMBL4610232

SCHEMBL4610232

CC(C)COP(=O)(OCC(C)C)C(=O)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 2/20 0.32
LAP3 P28838 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 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
SCHEMBL4609690 0.76 CA12 (0.45) CYP3A4TSHR
SCHEMBL4609160 0.76 TSHR (0.40) CYP3A4GAATSHRLAP3MEN1
SCHEMBL4609879 0.74 CYP2C19 (0.31)
SCHEMBL4609917 0.74 TSHR (0.34) CYP3A4GAATSHRLAP3MEN1
SCHEMBL4610207 0.72 TSHR (0.33) CYP3A4GAATSHRLAP3MEN1
SCHEMBL4609292 0.71 HTT (0.34)
SCHEMBL4609603 0.71 ALDH1A1 (0.32)
SCHEMBL4611243 0.69 ALDH1A1 (0.33) CYP3A4GAATSHRMEN1KMT2A
SCHEMBL4611526 0.69 TSHR (0.48) CYP3A4GAATSHRLAP3
SCHEMBL4610649 0.69 CYP3A4 (0.50) CYP3A4TSHR

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