SCHEMBL4611213

SCHEMBL4611213

O=C(Oc1ccccc1)P(=O)(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
CETP P11597 3/20 0.46
NR4A1 P22736 1/20 0.45
NR4A2 P43354 1/20 0.45
NR4A3 Q92570 1/20 0.45
ALDH1A1 P00352 3/20 0.44
MAPT P10636 1/20 0.44
SRC P12931 1/20 0.43
MAOB P27338 1/20 0.42
PARP10 Q53GL7 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
SRD5A2 P31213 1/20 0.41

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
SCHEMBL11333869 0.83 TSHR (0.43) TSHRNR4A1NR4A2NR4A3ALDH1A1
SCHEMBL18177969 0.81 CYP2C9 (0.39) TSHRALDH1A1MAPTSRCNPC1
SCHEMBL11333838 0.81 TSHR (0.56) TSHRCETPALDH1A1MAOBNPC1
SCHEMBL1563400 0.81 NR1I2 (0.51) ALDH1A1MAPTMEN1KMT2A
SCHEMBL11331659 0.78 TSHR (0.53) TSHRCETPALDH1A1MEN1NPC1
SCHEMBL7520596 0.77 TSHR (0.67) TSHRCETPNR4A1NR4A2NR4A3
SCHEMBL4612087 0.77 CYP3A4 (0.42) TSHRALDH1A1MEN1NPC1RAB9A
SCHEMBL4609480 0.77 HTT (0.40) ALDH1A1MAPTMAOBMEN1KMT2A
SCHEMBL4610119 0.77 ALDH1A1 (0.44) ALDH1A1MAPTSRC
SCHEMBL11592226 0.77 TSHR (0.60) TSHRCETPNR4A1NR4A2NR4A3

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 8 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
US-4308263-A VIRICIDES BAYER AKTIENGESELLSCHAFT (DE) 1981-12-29 US disclosed