⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10884914 | 0.98 | — | — | |
| Methane SCHEMBL10785923 | 0.79 | MMP2 (0.39) | — | |
| SCHEMBL10885238 | 0.77 | MMP2 (0.40) | — | |
| SCHEMBL31685163 | 0.75 | MMP1 (0.32) | — | |
| Methane SCHEMBL10784198 | 0.73 | CA12 (0.46) | — | |
| Methane SCHEMBL10786240 | 0.72 | — | — | |
| SCHEMBL10885308 | 0.71 | CA12 (0.47) | — | |
| SCHEMBL6008378 | 0.71 | LPAR2 (0.32) | — | |
| Methane SCHEMBL282362 | 0.70 | — | — | |
| SCHEMBL637890 | 0.70 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0096931-B1 | RADIOGRAPHIC IMAGING AGENTS | Mallinckrodt, Inc. (a Delaware corporation) (US) | 1987-03-25 | — | — | EP | claimed |
| EP-0096931-B1 | RADIOGRAPHIC IMAGING AGENTS | Mallinckrodt, Inc. (a Delaware corporation) (US) | 1987-03-25 | — | — | EP | disclosed |
| US-4504463-A | DIPHOSPHONATE, STANNOUS SALT | MALLINCKRODT, INC. (US) | 1985-03-12 | — | — | US | disclosed |
| EP-0096931-A2 | Radiographic imaging agents | Mallinckrodt, Inc. (a Delaware corporation) (US) | 1983-12-28 | — | — | EP | disclosed |
| EP-0096932-A2 | Process for making a lyophilized product for use in skeletal imaging | Mallinckrodt, Inc. (a Delaware corporation) (US) | 1983-12-28 | — | — | EP | disclosed |