⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17532797 | 0.77 | — | — | |
| SCHEMBL866534 | 0.72 | — | — | |
| SCHEMBL28844972 | 0.71 | BACE1 (0.32) | — | |
| SCHEMBL10783455 | 0.68 | L3MBTL1 (0.32) | — | |
| SCHEMBL6959927 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL27768567 | 0.66 | TSHR (0.34) | — | |
| SCHEMBL866699 | 0.65 | — | — | |
| SCHEMBL297646 | 0.65 | — | — | |
| SCHEMBL27546258 | 0.65 | — | — | |
| SCHEMBL11790546 | 0.65 | SLC6A2 (0.31) | — |
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-114804020-A | Slurry hydrogen storage material and preparation method thereof | 苏州清德氢能源科技有限公司 | 2022-07-29 | — | — | CN | disclosed |