SCHEMBL8534220

SCHEMBL8534220

O=C(O)CNCCNCCNCC(=O)NCCCNC(=O)CNCCNCCNC(CC(=O)NCC(O)CO)C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL10784145 0.93 BCHE (0.31)
SCHEMBL9272518 0.88 CA2 (0.31) CA2
SCHEMBL8534204 0.77 CA1 (0.30) CA1CA2
SCHEMBL9266659 0.76 CA1 (0.35) CA1CA2
SCHEMBL8858994 0.75 MAPT (0.34) CA1CA2
SCHEMBL8916802 0.74 CA1 (0.34) CA1CA2
SCHEMBL9153082 0.73 MME (0.34) CA2
SCHEMBL8911606 0.73 CA1 (0.34) CA1CA2
SCHEMBL23248621 0.72 CA2 (0.37) CA2
SCHEMBL8935945 0.72 CA2 (0.37) CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0497926-B1 MULTI-SITE METAL CHELATING AGENTS NYCOMED SALUTAR INC (US) 1998-06-03 EP disclosed
US-5446145-A Diagnostic imaging, detoxification, radiotherapy NYCOMED SALUTAR, INC. (US) 1995-08-29 US disclosed
US-5281704-A Polychelant compounds SALUTAR, INC. (US) 1994-01-25 US disclosed