⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9738158 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL11638215 | 0.72 | — | — | |
| SCHEMBL13444602 | 0.70 | — | — | |
| SCHEMBL10838252 | 0.67 | — | — | |
| SCHEMBL8918330 | 0.65 | — | — | |
| SCHEMBL13444604 | 0.64 | — | — | |
| SCHEMBL5167110 | 0.64 | — | — | |
| SCHEMBL17163935 | 0.64 | — | — | |
| SCHEMBL8990091 | 0.63 | CYP2D6 (0.30) | — | |
| SCHEMBL8916520 | 0.63 | CYP2D6 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5625075-A | Metal radionuclide chelating compounds for improved chelation kinetics | NEORX CORPORATION (US) | 1997-04-29 | — | — | US | disclosed |
| US-5436352-A | Metal radionuclide chelating compounds for improved chelation kinetics | NEORX CORPORATION (US) | 1995-07-25 | — | — | US | disclosed |
| EP-0344724-B1 | METAL RADIONUCLIDE CHELATING COMPOUNDS FOR IMPROVED CHELATION KINETICS | NEORX CORPORATION (US) | 1993-08-11 | — | — | EP | disclosed |
| US-5075099-A | Metal radionuclide chelating compounds for improved chelation kinetics | NEORX CORPORATION (US) | 1991-12-24 | — | — | US | disclosed |
| US-4988496-A | Metal radionuclide chelating compounds for improved chelation kinetics | NEORX CORPORATION (US) | 1991-01-29 | — | — | US | disclosed |
| EP-0344724-A2 | Metal radionuclide chelating compounds for improved chelation kinetics | NEORX CORPORATION (US) | 1989-12-06 | — | — | EP | disclosed |