⚠ 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 | |
|---|---|---|---|---|
| Carbon Monoxide SCHEMBL9439366 | 0.79 | — | — | |
| SCHEMBL5587551 | 0.79 | — | — | |
| SCHEMBL9398275 | 0.73 | — | — | |
| SCHEMBL5588535 | 0.73 | — | — | |
| SCHEMBL10630680 | 0.67 | — | — | |
| SCHEMBL12198277 | 0.67 | — | — | |
| SCHEMBL12198272 | 0.67 | — | — | |
| SCHEMBL12198276 | 0.67 | — | — | |
| SCHEMBL13042308 | 0.61 | — | — | |
| SCHEMBL12628893 | 0.61 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0183555-B1 | METAL-ISONITRILE ADDUCTS FOR PREPARING RADIONUCLIDE COMPLEXES FOR LABELLING AND IMAGING AGENTS | THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 1992-01-22 | — | — | EP | disclosed |
| EP-0107734-B1 | ISONITRILE RADIONUCLIDE COMPLEXES FOR LABELLING AND IMAGING AGENTS | THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 1987-07-29 | — | — | EP | disclosed |
| EP-0107734-A4 | ISONITRILE RADIONUCLIDE COMPLEXES FOR LABELLING AND IMAGING AGENTS. | HARVARD COLLEGE (US) | 1984-11-22 | — | — | EP | disclosed |
| US-4452774-A | Isonitrile radionuclide complexes for labelling and imaging agents | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 1984-06-05 | — | — | US | disclosed |
| EP-0107734-A1 | ISONITRILE RADIONUCLIDE COMPLEXES FOR LABELLING AND IMAGING AGENTS. | HARVARD COLLEGE (US) | 1984-05-09 | — | — | EP | disclosed |
| WO-1983003761-A1 | ISONITRILE RADIONUCLIDE COMPLEXES FOR LABELLING AND IMAGING AGENTS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 1983-11-10 | — | — | WO | disclosed |