⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL5481689 | 0.97 | FNTA (0.39) | — | |
| SCHEMBL29005950 | 0.85 | FNTA (0.36) | — | |
| SCHEMBL8137367 | 0.77 | — | — | |
| SCHEMBL530163 | 0.75 | FNTA (0.46) | — | |
| SCHEMBL1799649 | 0.75 | CA1 (0.50) | — | |
| SCHEMBL5639498 | 0.74 | — | — | |
| SCHEMBL8137370 | 0.74 | — | — | |
| SCHEMBL27683407 | 0.74 | FNTA (0.35) | — | |
| SCHEMBL28732002 | 0.73 | FNTA (0.41) | — | |
| SCHEMBL7611491 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2025046523-A1 | NOVEL PYRIDO PYRIDAZINONE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME | 삼진제약주식회사 | 2025-03-06 | — | — | WO | disclosed |
| US-11066379-B2 | Gracilin A and congeners as immunosuppressive and neuroprotective agents | THE TEXAS A&M UNIVERSITY SYSTEM (US) | 2021-07-20 | — | — | US | disclosed |
| US-20210002245-A1 | GRACILIN A AND CONGENERS AS IMMUNOSUPPRESSIVE AND NEUROPROTECTIVE AGENTS | THE TEXAS A&M UNIVERSITY SYSTEM (US) | 2021-01-07 | — | — | US | disclosed |
| WO-2012149633-A1 | PROCESSES AND INTERMEDIATES IN THE PREPARATION OF MORPHINE ANALOGS VIA N-DEMETHYLATION OF N-OXIDES USING CYCLODEHYDRATION REAGENTS | BROCK UNIVERSITY (CA) | 2012-11-08 | — | — | WO | disclosed |