⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL31054802 | 0.98 | — | — | |
| SCHEMBL31158954 | 0.86 | — | — | |
| SCHEMBL4018196 | 0.78 | — | — | |
| SCHEMBL31158730 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL1367812 | 0.76 | — | — | |
| SCHEMBL17624361 | 0.67 | — | — | |
| Trifluoroacetic Acid SCHEMBL34473829 | 0.67 | ALDH1A1 (0.31) | — | |
| SCHEMBL20898974 | 0.65 | — | — | |
| SCHEMBL512186 | 0.65 | — | — | |
| SCHEMBL18019791 | 0.65 | — | — |
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-4472739-A1 | IMIDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE | F. Hoffmann-La Roche AG (CH) | 2024-12-11 | — | — | EP | disclosed |
| WO-2023148129-A1 | IMIDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE | F. HOFFMANN-LA ROCHE AG (CH) | 2023-08-10 | — | — | WO | disclosed |