⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4027929 | 0.70 | MEN1 (0.33) | — | |
| SCHEMBL5095124 | 0.65 | — | — | |
| SCHEMBL5095130 | 0.65 | — | — | |
| SCHEMBL7120739 | 0.61 | — | — | |
| SCHEMBL20221516 | 0.60 | — | — | |
| SCHEMBL1055706 | 0.58 | — | — | |
| Hydrochloric Acid SCHEMBL17560464 | 0.57 | — | — | |
| SCHEMBL18050089 | 0.57 | — | — | |
| SCHEMBL4028303 | 0.57 | — | — | |
| SCHEMBL2655093 | 0.56 | — | — |
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-4367102-A1 | QUATERNARY AMMONIUM CATION SUBSTITUTED COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS | F. Hoffmann-La Roche AG (CH) | 2024-05-15 | — | — | EP | disclosed |
| WO-2023280733-A1 | QUATERNARY AMMONIUM CATION SUBSTITUTED COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS | F. HOFFMANN-LA ROCHE AG (CH) | 2023-01-12 | — | — | WO | disclosed |