⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29817 | 0.97 | — | — | |
| Fluoride SCHEMBL4324230 | 0.94 | — | — | |
| SCHEMBL29168876 | 0.93 | — | — | |
| SCHEMBL8069604 | 0.93 | — | — | |
| SCHEMBL27426594 | 0.93 | — | — | |
| Ammonia Solution, Strong SCHEMBL11219484 | 0.93 | — | — | |
| SCHEMBL8961816 | 0.93 | — | — | |
| SCHEMBL3238828 | 0.93 | — | — | |
| SCHEMBL1085316 | 0.93 | — | — | |
| SCHEMBL11454433 | 0.90 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116514916-B | Indole alkaloid compound and preparation method thereof | 江西省药品检验检测研究院 | 2023-09-08 | — | — | CN | disclosed |
| CN-116514916-A | Indole alkaloid compound and preparation method thereof | 江西省药品检验检测研究院 | 2023-08-01 | — | — | CN | disclosed |