⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28954210 | 0.84 | — | — | |
| SCHEMBL3447558 | 0.69 | — | — | |
| Acrolein SCHEMBL5138990 | 0.66 | TRPA1 (0.36) | — | |
| SCHEMBL78010 | 0.66 | — | — | |
| SCHEMBL3818292 | 0.66 | — | — | |
| Iodide SCHEMBL1410331 | 0.66 | — | — | |
| SCHEMBL466965 | 0.66 | — | — | |
| SCHEMBL1603263 | 0.64 | — | — | |
| SCHEMBL1603317 | 0.64 | — | — | |
| SCHEMBL1603253 | 0.64 | — | — |
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-0539960-B1 | Hematoporphyrin derivatives complex salts and their use in the detection and treatment of neoplasms | WOJSKOWA AKAD TECH (PL) | 1997-03-05 | — | — | EP | claimed |
| US-5451599-A | Tumor detection | WOJSKOWA AKADEMIA TECHNICZNA IM. JAROSLAWA DABROWSKIEGO (PL) | 1995-09-19 | — | — | US | claimed |
| EP-0539960-A2 | Hematoporphyrin derivatives complex salts and their use in the detection and treatment of neoplasms | Wojskowa Akademia Techniczna im. Jaroslawa Dabrowskiego (PL) | 1993-05-05 | — | — | EP | claimed |
| EP-0539960-B1 | Hematoporphyrin derivatives complex salts and their use in the detection and treatment of neoplasms | WOJSKOWA AKAD TECH (PL) | 1997-03-05 | — | — | EP | disclosed |
| US-5451599-A | Tumor detection | WOJSKOWA AKADEMIA TECHNICZNA IM. JAROSLAWA DABROWSKIEGO (PL) | 1995-09-19 | — | — | US | disclosed |
| EP-0539960-A2 | Hematoporphyrin derivatives complex salts and their use in the detection and treatment of neoplasms | Wojskowa Akademia Techniczna im. Jaroslawa Dabrowskiego (PL) | 1993-05-05 | — | — | EP | disclosed |