⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29010895 | 0.83 | POLB (0.30) | — | |
| SCHEMBL29074543 | 0.73 | — | — | |
| Bromide SCHEMBL26969680 | 0.72 | — | — | |
| SCHEMBL28447945 | 0.69 | — | — | |
| Iodide SCHEMBL28977707 | 0.69 | — | — | |
| SCHEMBL28056922 | 0.68 | — | — | |
| SCHEMBL28088749 | 0.61 | — | — | |
| SCHEMBL28979095 | 0.60 | L3MBTL1 (0.30) | — | |
| SCHEMBL27753236 | 0.60 | FFAR3 (0.35) | — | |
| SCHEMBL1917059 | 0.58 | ALDH1A1 (0.34) | — |
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-113813801-B | Mixed matrix ultrafiltration membrane doped with ZIFs@polyionic liquid compound and preparation method thereof | 浙江工商大学 | 2023-06-06 | — | — | CN | disclosed |