⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2905525 | 0.98 | — | — | |
| SCHEMBL8438950 | 0.84 | — | — | |
| SCHEMBL29091535 | 0.80 | DNTT (0.31) | — | |
| SCHEMBL9314512 | 0.79 | — | — | |
| SCHEMBL28660174 | 0.78 | — | — | |
| SCHEMBL29799254 | 0.77 | — | — | |
| SCHEMBL13189418 | 0.77 | — | — | |
| SCHEMBL28309929 | 0.77 | — | — | |
| SCHEMBL39334 | 0.71 | — | — | |
| SCHEMBL11497527 | 0.66 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112689728-B | Mechanically regulated gas storage and delivery vessel based on adsorbent | 恩特格里斯公司 | 2022-12-13 | — | — | CN | claimed |
| CN-112689728-B | Mechanically regulated gas storage and delivery vessel based on adsorbent | 恩特格里斯公司 | 2022-12-13 | — | — | CN | disclosed |