⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28605159 | 0.75 | — | — | |
| SCHEMBL10342759 | 0.75 | — | — | |
| Methane SCHEMBL10785714 | 0.73 | — | — | |
| Methane SCHEMBL282362 | 0.73 | — | — | |
| Methane SCHEMBL10859496 | 0.73 | FDPS (0.30) | — | |
| Methane SCHEMBL10784376 | 0.72 | — | — | |
| SCHEMBL29534791 | 0.70 | ALDH1A1 (0.39) | — | |
| SCHEMBL10885320 | 0.70 | — | — | |
| SCHEMBL31685163 | 0.70 | MMP1 (0.32) | — | |
| SCHEMBL10896986 | 0.69 | FDPS (0.32) | — |
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-0096930-B1 | STABLE RADIOGRAPHIC IMAGING AGENTS | Mallinckrodt, Inc. (a Delaware corporation) (US) | 1987-04-15 | — | — | EP | disclosed |
| US-4440738-A | TECHNETIUM, REDUCTIC OR ASCORBIC ACID DERIVATIVES | MALLINCKRODT, INC. (US) | 1984-04-03 | — | — | US | disclosed |
| EP-0096930-A2 | Stable radiographic imaging agents | Mallinckrodt, Inc. (a Delaware corporation) (US) | 1983-12-28 | — | — | EP | disclosed |