SCHEMBL9113380

SCHEMBL9113380

CCCCCCCCCCCCCCCCCCCCCCCCO[Ti](=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 5/20 0.45
LPAR2 Q9HBW0 4/20 0.45
LPAR1 Q92633 2/20 0.45
NAAA Q02083 1/20 0.45
CES2 O00748 1/20 0.43
EPHX1 P07099 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
TSHR P16473 3/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
NR1I2 O75469 1/20 0.41
CHRM2 P08172 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADRA2A P08913 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR2B P41595 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
SCHEMBL6229650 1.00 LPAR3 (0.45) LPAR3LPAR2LPAR1NAAACES2
SCHEMBL6228161 1.00 LPAR3 (0.45) LPAR3LPAR2LPAR1NAAACES2
SCHEMBL5353239 1.00 LPAR3 (0.45) LPAR3LPAR2LPAR1NAAACES2
SCHEMBL258117 1.00 LPAR3 (0.45) LPAR3LPAR2LPAR1NAAACES2
SCHEMBL4187150 1.00 LPAR3 (0.45) LPAR3LPAR2LPAR1NAAACES2
SCHEMBL6839829 1.00 LPAR3 (0.45) LPAR3LPAR2LPAR1NAAACES2
SCHEMBL50531 1.00 LPAR3 (0.45) LPAR3LPAR2LPAR1NAAACES2
SCHEMBL1502760 0.98
SCHEMBL123689 0.90
SCHEMBL11792270 0.88 LPAR3 (0.50) LPAR3LPAR2LPAR1MEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5426207-A Continuous production process of diarylcarbonates DAVY RESEARCH AND DEVELOPMENT LIMITED (GB) 1995-06-20 US disclosed
WO-1995006672-A1 IMPROVED CATALYSTS FOR POLYMERIZING OLEFINS OCCIDENTAL CHEMICAL CORPORATION (US) 1995-03-09 WO disclosed
WO-1992018458-A1 CONTINUOUS PRODUCTION PROCESS OF DIARYLCARBONATES DAVY RESEARCH AND DEVELOPMENT LIMITED (GB) 1992-10-29 WO disclosed
US-4699961-A MAGNESIUM SILOXIDE SUPPORTS E. I. DU PONT DE NEMOURS & CO. (US) 1987-10-13 US disclosed
US-4511669-A High efficiency catalysts for varying olefin polymer molecular weight distribution E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-04-16 US disclosed
EP-0105728-A2 High efficiency catalysts for varying olefin polymer molecular weight distribution E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-04-18 EP disclosed