SCHEMBL9150251

SCHEMBL9150251

CCCCCCCCCCCCCCO[Ti](OCCCCCCCCCCCCCC)(OCCCCCCCCCCCCCC)OCCCCCCCCCCCCCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.47
TSHR P16473 1/20 0.47
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.42
CA1 P00915 8/20 0.41
CA2 P00918 8/20 0.41
CA9 Q16790 7/20 0.41
LPAR3 Q9UBY5 6/20 0.41
LPAR2 Q9HBW0 5/20 0.41
CA12 O43570 3/20 0.41
CA7 P43166 3/20 0.41
CA14 Q9ULX7 3/20 0.41
LPAR1 Q92633 2/20 0.41
CA3 P07451 2/20 0.41
CA4 P22748 2/20 0.41
CA6 P23280 2/20 0.41
CA5A P35218 2/20 0.41
CA5B Q9Y2D0 2/20 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
SCHEMBL258116 1.00 THRB (0.47) THRBTSHRMEN1HTTKMT2A
SCHEMBL4307221 1.00 THRB (0.47) THRBTSHRMEN1HTTKMT2A
SCHEMBL50530 1.00 THRB (0.47) THRBTSHRMEN1HTTKMT2A
SCHEMBL4308721 1.00 THRB (0.47) THRBTSHRMEN1HTTKMT2A
SCHEMBL6554684 1.00 THRB (0.47) THRBTSHRMEN1HTTKMT2A
SCHEMBL93518 1.00 THRB (0.47) THRBTSHRMEN1HTTKMT2A
SCHEMBL1361972 1.00 THRB (0.47) THRBTSHRMEN1HTTKMT2A
SCHEMBL9153308 1.00 THRB (0.47) THRBTSHRMEN1HTTKMT2A
SCHEMBL6839828 1.00 THRB (0.47) THRBTSHRMEN1HTTKMT2A
SCHEMBL258179 1.00 THRB (0.47) THRBTSHRMEN1HTTKMT2A

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 4 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
US-5216102-A Using Ziegler-Natta catalyst of trialkyl-aluminum, tetraalkyl titanate MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1993-06-01 US disclosed
WO-1992018458-A1 CONTINUOUS PRODUCTION PROCESS OF DIARYLCARBONATES DAVY RESEARCH AND DEVELOPMENT LIMITED (GB) 1992-10-29 WO disclosed
US-4983696-A Ziegler-Natta catalyst comprising tetraalkyl titanate and trialkylaluminum, one of which has a long chain alkyl group, molar ratio Al:Ti is 1.5:10 MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1991-01-08 US disclosed