⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL98290 | 0.81 | CA1 (0.33) | — | |
| SCHEMBL7601852 | 0.72 | — | — | |
| SCHEMBL3970277 | 0.68 | NOS1 (0.32) | — | |
| SCHEMBL14734513 | 0.68 | CHRM2 (0.37) | — | |
| SCHEMBL28305967 | 0.67 | ALOX15 (0.33) | — | |
| SCHEMBL28324669 | 0.67 | ALOX15 (0.33) | — | |
| SCHEMBL8069305 | 0.67 | — | — | |
| SCHEMBL8069317 | 0.66 | — | — | |
| SCHEMBL1426610 | 0.65 | — | — | |
| SCHEMBL5986965 | 0.65 | NOS1 (0.33) | — |
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 |