SCHEMBL4624136

SCHEMBL4624136

CC(O)C(OC(COCc1ccccc1)COCc1ccccc1)OC(COCc1ccccc1)COCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.51
CA2 P00918 2/20 0.51
CA7 P43166 2/20 0.51
CA9 Q16790 2/20 0.51
KMT2A Q03164 1/20 0.49
TSHR P16473 2/20 0.45
HTT P42858 2/20 0.44
TACR1 P25103 3/20 0.42
MAPK1 P28482 1/20 0.42
POLB P06746 1/20 0.42
SLC1A1 P43005 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
SCHEMBL9575742 0.79 TSHR (0.48) CA1CA2CA7CA9KMT2A
SCHEMBL21843055 0.79 KMT2A (0.62) CA1CA2CA7CA9KMT2A
SCHEMBL19992384 0.79 KMT2A (0.58) CA1CA2CA7CA9KMT2A
SCHEMBL12552888 0.79 KMT2A (0.58) CA1CA2CA7CA9KMT2A
SCHEMBL9480893 0.79 KMT2A (0.62) CA1CA2CA7CA9KMT2A
SCHEMBL25032346 0.79 KMT2A (0.62) CA1CA2CA7CA9KMT2A
SCHEMBL12552879 0.79 KMT2A (0.58) CA1CA2CA7CA9KMT2A
SCHEMBL873616 0.78 CA1 (0.61) CA1CA2CA7CA9KMT2A
SCHEMBL1096291 0.78 CA1 (0.61) CA1CA2CA7CA9KMT2A
SCHEMBL2181772 0.78 CA1 (0.61) CA1CA2CA7CA9KMT2A

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-1904463-A2 COMPLEXES CONTAINING PERFLUOROALKYL, METHOD FOR THE PRODUCTION AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2008-04-02 EP disclosed
EP-1904462-A2 COMPLEXES CONTAINING PERFLUOROALKYL, METHOD FOR THE PRODUCTION AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2008-04-02 EP disclosed
EP-1856046-A1 CONJUGATES OF METAL COMPLEX HYDROXYPYRIDIN DERIVATIVES AND BIOMOLECULES AND THE USE THEREOF FOR PRODUCING AGENTS USED IN NMR DIAGNOSIS Bayer Schering Pharma Aktiengesellschaft (DE) 2007-11-21 EP disclosed
EP-1828129-A1 HYDROXYPYRIDINONE DERIVATIVES, THEIR METAL COMPLEXES AND THEIR USE IN THE PRODUCTION OF CONJUGATES WITH BIOMOLECULES Bayer Schering Pharma Aktiengesellschaft (DE) 2007-09-05 EP disclosed
WO-2007009638-A2 COMPLEXES CONTAINING PERFLUOROALKYL, METHOD FOR THE PRODUCTION AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-25 WO disclosed
WO-2007009637-A2 COMPLEXES CONTAINING PERFLUOROALKYL, THEIR USE AS CONTRAST MEDIA FOR NMR, X-RAY AND RADIO DIAGNOSIS AND RADIOTHERAPY BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-25 WO disclosed
WO-2006069678-A1 CONJUGATES OF METAL COMPLEX HYDROXYPYRIDIN DERIVATIVES AND BIOMOLECULES AND THE USE THEREOF FOR PRODUCING AGENTS USED IN NMR DIAGNOSIS SCHERING AG (DE) 2006-07-06 WO disclosed
WO-2006069676-A1 HYDROXYPYRIDINONE DERIVATIVES, THEIR METAL COMPLEXES AND THEIR USE IN THE PRODUCTION OF CONJUGATES WITH BIOMOLECULES SCHERING AG (DE) 2006-07-06 WO disclosed