⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31662163 | 0.83 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL31661898 | 0.82 | TTK (0.34) | — | |
| SCHEMBL31662091 | 0.82 | — | — | |
| SCHEMBL31662100 | 0.82 | — | — | |
| SCHEMBL31661926 | 0.81 | TTK (0.32) | — | |
| SCHEMBL31662219 | 0.81 | SRC (0.33) | — | |
| SCHEMBL31662168 | 0.80 | TTK (0.30) | — | |
| SCHEMBL31661862 | 0.80 | HTR6 (0.34) | — | |
| SCHEMBL31662082 | 0.78 | TBXAS1 (0.34) | — | |
| SCHEMBL31662398 | 0.76 | BMPR1B (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2025149545-A1 | HETEROARYLPHENYL ETHER DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2025-07-17 | — | — | WO | claimed |
| WO-2025149545-A1 | HETEROARYLPHENYL ETHER DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2025-07-17 | — | — | WO | disclosed |