⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23857751 | 0.89 | GRIK1 (0.32) | — | |
| SCHEMBL23856676 | 0.79 | — | — | |
| SCHEMBL23856832 | 0.79 | PTPRB (0.30) | — | |
| SCHEMBL30253452 | 0.72 | ALDH1A1 (0.30) | — | |
| SCHEMBL3963660 | 0.71 | MEN1 (0.44) | — | |
| SCHEMBL31296497 | 0.70 | — | — | |
| SCHEMBL10477516 | 0.69 | TSHR (0.35) | — | |
| SCHEMBL17274540 | 0.69 | TSHR (0.35) | — | |
| SCHEMBL1696084 | 0.67 | GRIK1 (0.34) | — | |
| SCHEMBL30253243 | 0.66 | DGAT1 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4126855-B1 | COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIONS | HOFFMANN LA ROCHE (CH) | 2024-04-24 | — | — | EP | disclosed |
| US-20230167127-A1 | COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION | HOFFMANN-LA ROCHE INC. (US) | 2023-06-01 | — | — | US | disclosed |
| EP-4126855-A1 | COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION | F. Hoffmann-La Roche AG (CH) | 2023-02-08 | — | — | EP | disclosed |
| WO-2021190727-A1 | COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION | F. HOFFMANN-LA ROCHE AG (CH) | 2021-09-30 | — | — | WO | disclosed |