⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17874638 | 0.73 | — | — | |
| SCHEMBL327059 | 0.71 | — | — | |
| Ethylene SCHEMBL7111339 | 0.69 | — | — | |
| Ammonia Solution, Strong SCHEMBL8666406 | 0.69 | — | — | |
| SCHEMBL1347824 | 0.68 | — | — | |
| SCHEMBL28228407 | 0.67 | CA5A (0.38) | — | |
| SCHEMBL27577885 | 0.67 | ALDH1A1 (0.41) | — | |
| SCHEMBL28997126 | 0.65 | — | — | |
| SCHEMBL30350084 | 0.65 | — | — | |
| Ammonia Solution, Strong SCHEMBL16243723 | 0.65 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0302416-B1 | 2-NITROIMIDAZOLE DERIVATIVES USEFUL AS RADIOSENSITIZERS FOR HYPOXIC TUMOR CELLS | WARNER-LAMBERT COMPANY (US) | 1992-01-02 | — | — | EP | disclosed |