⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30756133 | 0.80 | HDAC1 (0.40) | — | |
| SCHEMBL20320471 | 0.77 | — | — | |
| SCHEMBL17686510 | 0.75 | — | — | |
| SCHEMBL28762930 | 0.72 | — | — | |
| SCHEMBL25437531 | 0.71 | HDAC1 (0.31) | — | |
| SCHEMBL25437529 | 0.71 | HDAC1 (0.31) | — | |
| SCHEMBL7816611 | 0.71 | HDAC1 (0.41) | — | |
| SCHEMBL4672515 | 0.68 | NOTUM (0.44) | — | |
| SCHEMBL30685417 | 0.68 | — | — | |
| SCHEMBL28301203 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20250099448-A1 | HETEROCYCLIC COMPOUNDS | HOFFMANN-LA ROCHE INC. (US) | 2025-03-27 | — | — | US | disclosed |
| CN-119233971-A | Pyridazine compound, preparation method and application thereof | 上海华汇拓医药科技有限公司 | 2024-12-31 | — | — | CN | disclosed |
| EP-4469446-A1 | NEW HETEROCYCLIC COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2024-12-04 | — | — | EP | disclosed |
| WO-2023144160-A1 | NEW HETEROCYCLIC COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2023-08-03 | — | — | WO | disclosed |