⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7470832 | 0.79 | ERN1 (0.31) | — | |
| SCHEMBL7570150 | 0.74 | ALDH1A1 (0.30) | — | |
| SCHEMBL1650784 | 0.71 | MAPT (0.44) | — | |
| SCHEMBL7555586 | 0.71 | — | — | |
| SCHEMBL64072 | 0.70 | CYP3A4 (0.33) | — | |
| SCHEMBL28920099 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL8006773 | 0.69 | — | — | |
| SCHEMBL9627673 | 0.69 | — | — | |
| SCHEMBL28819045 | 0.69 | CYP3A4 (0.32) | — | |
| SCHEMBL27960253 | 0.69 | CYP3A4 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6057453-A | OXIDATION, FORMING RADIOSENSITIZING DIAMINES, REDUCTION | FLORIDA STATE UNIVERSITY (US) | 2000-05-02 | — | — | US | claimed |
| EP-0830357-A4 | RADIOSENSITIZING DIAMINES AND THEIR PHARMACEUTICAL PREPARATIONS | UNIV FLORIDA STATE (US) | 2000-01-19 | — | — | EP | claimed |
| EP-0830357-A1 | RADIOSENSITIZING DIAMINES AND THEIR PHARMACEUTICAL PREPARATIONS | FLORIDA STATE UNIVERSITY (US) | 1998-03-25 | — | — | EP | claimed |
| US-5700825-A | USED TO KILL HYPOXIC TUMOR CELLS | FLORIDA STATE UNIVERSITY (US) | 1997-12-23 | — | — | US | claimed |
| WO-1996030365-A1 | RADIOSENSITIZING DIAMINES AND THEIR PHARMACEUTICAL PREPARATIONS | FLORIDA STATE UNIVERSITY (US) | 1996-10-03 | — | — | WO | claimed |