⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1402192 | 0.72 | — | — | |
| SCHEMBL14743779 | 0.70 | — | — | |
| SCHEMBL8508228 | 0.69 | — | — | |
| SCHEMBL19553620 | 0.69 | — | — | |
| SCHEMBL29394145 | 0.54 | — | — | |
| SCHEMBL73936 | 0.53 | — | — | |
| SCHEMBL1258358 | 0.52 | — | — | |
| SCHEMBL33790 | 0.52 | — | — | |
| SCHEMBL3321079 | 0.52 | — | — | |
| SCHEMBL7048242 | 0.52 | — | — |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070014725-A1 | Conjugates of macrocyclic metal complexes with biomolecules and their use for the production of agents for NMR diagnosis and radiodiagnosis as well as radiotherapy | SCHERING AG (DE) | 2007-01-18 | — | — | US | disclosed |
| US-7164016-B2 | Macrocyclic metal complexes and their use for the production of conjugates with biomolecules | SCHERING AG (DE) | 2007-01-16 | — | — | US | disclosed |
| US-20070009442-A1 | Macrocyclic metal complexes and their use for the production of conjugates with biomolecules | SCHERING AG (DE) | 2007-01-11 | — | — | US | disclosed |