⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5714010 | 0.69 | — | — | |
| SCHEMBL9664191 | 0.65 | — | — | |
| SCHEMBL28259887 | 0.62 | — | — | |
| SCHEMBL9445023 | 0.61 | — | — | |
| SCHEMBL96706 | 0.61 | TSHR (0.33) | — | |
| SCHEMBL263071 | 0.61 | — | — | |
| SCHEMBL462051 | 0.59 | — | — | |
| SCHEMBL432540 | 0.59 | — | — | |
| SCHEMBL233450 | 0.59 | — | — | |
| SCHEMBL6659883 | 0.59 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0474323-A1 | Reducing chelants, their complexes with technetium and rhenium, method for their preparation and their use in diagnosis and therapy | INSTITUT FÜR DIAGNOSTIKFORSCHUNG GmbH, c/o FU KLINIKUM RUDOLF VIRCHOW (DE) | 1992-03-11 | — | — | EP | disclosed |