⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31439824 | 0.74 | AAK1 (0.40) | — | |
| SCHEMBL27229448 | 0.70 | SLC9A1 (0.32) | — | |
| SCHEMBL29956191 | 0.62 | MAPK13 (0.38) | — | |
| SCHEMBL30568482 | 0.61 | ALDH1A1 (0.41) | — | |
| SCHEMBL26926661 | 0.60 | TAAR1 (0.37) | — | |
| SCHEMBL7580249 | 0.57 | KDM5A (0.48) | — | |
| SCHEMBL6204453 | 0.57 | RAB9A (0.62) | — | |
| SCHEMBL16213156 | 0.57 | USP7 (0.36) | — | |
| SCHEMBL22242106 | 0.55 | SMN1; SMN2 (0.49) | — | |
| SCHEMBL3712944 | 0.55 | SLC9A1 (0.38) | — |
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-4747260-A1 | MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE | F. Hoffmann-La Roche AG (CH) | 2026-05-27 | — | — | EP | disclosed |
| WO-2025021666-A1 | MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE | F. HOFFMANN-LA ROCHE AG (CH) | 2025-01-30 | — | — | WO | disclosed |