⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9619009 | 0.79 | — | — | |
| SCHEMBL5588535 | 0.72 | — | — | |
| SCHEMBL5587551 | 0.69 | — | — | |
| SCHEMBL9398275 | 0.65 | — | — | |
| Carbon Monoxide SCHEMBL3003056 | 0.61 | — | — | |
| Carbon Monoxide SCHEMBL5586835 | 0.61 | — | — | |
| Carbon Monoxide SCHEMBL5588916 | 0.61 | — | — | |
| Carbon Monoxide SCHEMBL5587938 | 0.61 | — | — | |
| Carbon Monoxide SCHEMBL5590023 | 0.61 | — | — | |
| SCHEMBL10630680 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5324824-A | Metal-isonitrile adducts for preparing radionuclide complexes | THE DUPONT MERCK PHARMACEUTICAL CO. (US) | 1994-06-28 | — | — | US | disclosed |
| US-4894445-A | Metal-isonitrile adducts for preparing radionuclide complexes | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1990-01-16 | — | — | US | disclosed |
| EP-0211424-A2 | Metal-Isonitrile adducts for preparing radionuclide complexes | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1987-02-25 | — | — | EP | disclosed |