⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL197020 | 0.67 | — | — | |
| SCHEMBL7487741 | 0.65 | — | — | |
| SCHEMBL131822 | 0.63 | — | — | |
| SCHEMBL622611 | 0.63 | — | — | |
| SCHEMBL4671938 | 0.61 | CYP19A1 (0.30) | — | |
| SCHEMBL133874 | 0.61 | CYP19A1 (0.30) | — | |
| SCHEMBL7489758 | 0.61 | — | — | |
| SCHEMBL1448141 | 0.61 | — | — | |
| SCHEMBL8064462 | 0.59 | — | — | |
| SCHEMBL1425874 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6153648-A | Iodopropargylamine compounds, and industrial antimicrobial and antifungal agents, algicides, and antifouling agents containing the same | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2000-11-28 | — | — | US | disclosed |
| EP-1016649-A1 | IODOPROPAGYLAMINE COMPOUNDS, AND INDUSTRIAL ANTIMICROBIAL AND ANTIFUNGAL AGENTS, ALGICIDES, AND ANTIFOULING AGENTS CONTAINING THE SAME | Nissan Chemical Industries, Ltd. (JP) | 2000-07-05 | — | — | EP | disclosed |