⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7603750 | 1.00 | — | — | |
| SCHEMBL27671716 | 0.76 | — | — | |
| SCHEMBL2269 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL8957337 | 0.73 | — | — | |
| SCHEMBL23660702 | 0.72 | TBXAS1 (0.34) | — | |
| SCHEMBL28490279 | 0.72 | TBXAS1 (0.33) | — | |
| SCHEMBL1443753 | 0.71 | — | — | |
| SCHEMBL466459 | 0.71 | — | — | |
| SCHEMBL5945457 | 0.71 | — | — | |
| SCHEMBL23875164 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0752813-B1 | INHIBITORS OF METAZOAN PARASITE PROTEASES | UNIV CALIFORNIA (US) | 2002-12-11 | — | — | EP | disclosed |
| US-4317831-A | Antimicrobial derivatives of 3-(1H-imidazol-1-yl)-2-propen-1-ones | E. R. SQUIBB & SONS, INC. (US) | 1982-03-02 | — | — | US | disclosed |
| US-4317831-A | Antimicrobial derivatives of 3-(1H-imidazol-1-yl)-2-propen-1-ones | E. R. SQUIBB & SONS, INC. (US) | 1982-03-02 | — | — | US | disclosed |
| US-4273776-A | Antibacterial and antifungal derivatives of 3-(1H-imidazol-1-yl)-2-propen-1-ones | E. R. SQUIBB & SONS, INC. (US) | 1981-06-16 | — | — | US | disclosed |
| US-4273776-A | Antibacterial and antifungal derivatives of 3-(1H-imidazol-1-yl)-2-propen-1-ones | E. R. SQUIBB & SONS, INC. (US) | 1981-06-16 | — | — | US | disclosed |