⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7629357 | 0.79 | — | — | |
| SCHEMBL5865960 | 0.77 | — | — | |
| SCHEMBL943375 | 0.75 | — | — | |
| SCHEMBL9615252 | 0.73 | HCAR2 (0.37) | — | |
| SCHEMBL9621020 | 0.73 | CYP2D6 (0.31) | — | |
| SCHEMBL9353321 | 0.71 | — | — | |
| SCHEMBL9479660 | 0.70 | — | — | |
| Alcohol SCHEMBL5865954 | 0.69 | — | — | |
| SCHEMBL9480623 | 0.69 | — | — | |
| Alcohol SCHEMBL5866024 | 0.67 | LMNA (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0490566-B1 | Preparation and use of N-iodopropargyl oxycarbonyl amino acid esters and derivatives as antimicrobial agents | ROHM & HAAS (US) | 1994-10-12 | — | — | EP | disclosed |
| EP-0490566-A1 | Preparation and use of N-iodopropargyl oxycarbonyl amino acid esters and derivatives as antimicrobial agents | ROHM AND HAAS COMPANY (US) | 1992-06-17 | — | — | EP | disclosed |