⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14879909 | 0.60 | ESR2 (0.31) | — | |
| SCHEMBL901128 | 0.60 | ESR2 (0.31) | — | |
| Ammonia Solution, Strong SCHEMBL28327714 | 0.58 | — | — | |
| SCHEMBL829180 | 0.57 | — | — | |
| SCHEMBL31384058 | 0.56 | — | — | |
| SCHEMBL22419891 | 0.56 | — | — | |
| SCHEMBL21084655 | 0.56 | — | — | |
| SCHEMBL4583165 | 0.56 | — | — | |
| SCHEMBL6903151 | 0.56 | — | — | |
| SCHEMBL8028662 | 0.55 | — | — |
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-3762019-A1 | GRACILIN A AND CONGENERS AS IMMUNOSUPPRESSIVE AND NEUROPROTECTIVE AGENTS | The Texas A&M University System (US) | 2021-01-13 | — | — | EP | disclosed |
| WO-2019173382-A1 | GRACILIN A AND CONGENERS AS IMMUNOSUPPRESSIVE AND NEUROPROTECTIVE AGENTS | THE TEXAS A&M UNIVERSITY SYSTEM (US) | 2019-09-12 | — | — | WO | disclosed |