⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13532087 | 0.87 | TSHR (0.30) | — | |
| SCHEMBL9385428 | 0.84 | TSHR (0.33) | — | |
| SCHEMBL20445398 | 0.75 | — | — | |
| SCHEMBL17773051 | 0.73 | HMGCR (0.39) | — | |
| SCHEMBL19729231 | 0.73 | ALDH1A1 (0.31) | — | |
| SCHEMBL11857110 | 0.72 | — | — | |
| SCHEMBL422121 | 0.70 | — | — | |
| SCHEMBL13771199 | 0.70 | — | — | |
| SCHEMBL24235498 | 0.70 | — | — | |
| SCHEMBL25590363 | 0.70 | — | — |
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-20230246229-A1 | ORGANIC SULFONATE ELECTROLYTE ADDITIVES FOR ZINC BATTERIES | Octet Scientific, Inc. | 2023-08-03 | — | — | US | disclosed |