⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30828606 | 1.00 | — | — | |
| SCHEMBL2490794 | 0.78 | — | — | |
| SCHEMBL14123454 | 0.74 | — | — | |
| SCHEMBL29549708 | 0.71 | — | — | |
| SCHEMBL194096 | 0.71 | — | — | |
| SCHEMBL25299389 | 0.69 | PIK3CD (0.35) | — | |
| SCHEMBL22042633 | 0.69 | CYP3A4 (0.37) | — | |
| SCHEMBL14729706 | 0.67 | NOTUM (0.37) | — | |
| SCHEMBL2922055 | 0.67 | — | — | |
| SCHEMBL14123469 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-115557900-B | Synthesis method of 3-substituted pyridazine derivative | 常州大学 | 2024-03-15 | — | — | CN | disclosed |
| CN-115557900-A | Synthetic method of 3-substituted pyridazine derivative | 常州大学 | 2023-01-03 | — | — | CN | disclosed |
| US-4348518-A | Cephalosporins | HOFFMANN-LA ROCHE INC. (US) | 1982-09-07 | — | — | US | disclosed |
| US-4091211-A | ANTIBIOTICS | HOFFMANN-LA ROCHE INC. (US) | 1978-05-23 | — | — | US | disclosed |