⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1535676 | 0.94 | ALDH1A1 (0.37) | — | |
| Hydrochloric Acid SCHEMBL1326227 | 0.92 | ALDH1A1 (0.35) | — | |
| Bromide SCHEMBL7172029 | 0.92 | ALDH1A1 (0.35) | — | |
| Iodide SCHEMBL14890443 | 0.92 | ALDH1A1 (0.35) | — | |
| SCHEMBL18967114 | 0.87 | — | — | |
| Sulfuric Acid SCHEMBL28426100 | 0.81 | — | — | |
| SCHEMBL8690770 | 0.81 | MAPT (0.32) | — | |
| SCHEMBL198297 | 0.77 | — | — | |
| Iodide SCHEMBL14836938 | 0.76 | ALDH1A1 (0.32) | — | |
| SCHEMBL14837041 | 0.75 | MMP1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0417870-B1 | Chelates for complexation of radioactive isotopes, their metal complexes and their use in diagnosis and therapy | DIAGNOSTIKFORSCHUNG INST (DE) | 1994-07-20 | — | — | EP | disclosed |
| US-5302370-A | Form complexes with rhenium and technetium | INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH (DE) | 1994-04-12 | — | — | US | disclosed |
| EP-0417870-A2 | Chelates for complexation of radioactive isotopes, their metal complexes and their use in diagnosis and therapy | INSTITUT FÜR DIAGNOSTIKFORSCHUNG GmbH AN DER FREIEN UNIVERSITÄT BERLIN (DE) | 1991-03-20 | — | — | EP | disclosed |