⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL315564 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL5144032 | 0.90 | — | — | |
| SCHEMBL317615 | 0.64 | — | — | |
| Malonaldehyde SCHEMBL9478503 | 0.63 | — | — | |
| Malonaldehyde SCHEMBL2429722 | 0.63 | — | — | |
| SCHEMBL9301776 | 0.63 | — | — | |
| SCHEMBL7320802 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL28472542 | 0.61 | — | — | |
| SCHEMBL9001123 | 0.60 | — | — | |
| SCHEMBL4829496 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116940351-A | Prodrug compositions and methods of treatment | 阿奎斯蒂弗医疗股份有限公司 | 2023-10-24 | — | — | CN | disclosed |