⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10669973 | 0.74 | — | — | |
| SCHEMBL9648574 | 0.71 | — | — | |
| SCHEMBL10878034 | 0.70 | — | — | |
| SCHEMBL26616140 | 0.69 | — | — | |
| SCHEMBL2858813 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL3691648 | 0.68 | — | — | |
| SCHEMBL27821991 | 0.65 | — | — | |
| SCHEMBL10766738 | 0.63 | — | — | |
| SCHEMBL28026467 | 0.63 | — | — | |
| SCHEMBL9732641 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6007792-A | CHELATE COMPOUNDS LABELED WITH TECHNETIUM-99M, RHENIUM-186, OR RHENIUM-188; TUMOR IMAGING | DIATIDE, INC. (US) | 1999-12-28 | — | — | US | disclosed |