⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL284018 | 0.61 | TSHR (0.40) | — | |
| SCHEMBL4652955 | 0.61 | TSHR (0.32) | — | |
| SCHEMBL30560056 | 0.61 | TSHR (0.40) | — | |
| Ammonia Solution, Strong SCHEMBL28651755 | 0.59 | TSHR (0.38) | — | |
| SCHEMBL28727403 | 0.59 | TSHR (0.38) | — | |
| SCHEMBL790497 | 0.57 | — | — | |
| SCHEMBL13461123 | 0.56 | ALOX15 (0.31) | — | |
| SCHEMBL16976541 | 0.56 | — | — | |
| SCHEMBL13157488 | 0.54 | LMNA (0.32) | — | |
| Amylene Hydrate SCHEMBL2049117 | 0.54 | ALDH1A1 (0.39) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11180631-B2 | Antioxidant composition | SI GROUP USA (USAA), LLC (US) | 2021-11-23 | — | — | US | disclosed |