SCHEMBL4609705

SCHEMBL4609705

CCCC(=O)P(=O)(Oc1cccc2ccccc12)Oc1cccc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
OGG1 O15527 1/20 0.46
HSD17B10 Q99714 2/20 0.45
PGR P06401 1/20 0.45
GAA P10253 1/20 0.45
PTGS1 P23219 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
BTN3A1 O00481 3/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR1B P28222 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
SCHEMBL4612096 0.89 TSHR (0.48) TSHRALDH1A1KDM4EHPGDTDP1
SCHEMBL4611553 0.81 ALDH1A1 (0.54) TSHRALDH1A1KDM4EHPGDTDP1
Alcohol SCHEMBL28262288 0.78 INPPL1 (0.52) TSHRALDH1A1KDM4EHPGDTDP1
SCHEMBL4610964 0.77 ALDH1A1 (0.53) TSHRALDH1A1KDM4EHPGDTDP1
SCHEMBL4610235 0.77 ALDH1A1 (0.46) TSHRALDH1A1KDM4EHPGDTDP1
SCHEMBL4611072 0.76 TSHR (0.46) TSHRALDH1A1KDM4EHPGDTDP1
SCHEMBL4612029 0.76 ALDH1A1 (0.45) TSHRALDH1A1KDM4EHPGDTDP1
SCHEMBL4611241 0.76 L3MBTL1 (0.51) ALDH1A1TDP1
SCHEMBL4609824 0.75 KMT2A (0.49) ALDH1A1KDM4EHPGDTDP1OGG1
SCHEMBL4610968 0.75 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDTDP1OGG1

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-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