⚠ 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 | |
|---|---|---|---|---|
| Propane SCHEMBL11326424 | 0.78 | — | — | |
| SCHEMBL2904 | 0.78 | — | — | |
| SCHEMBL27946387 | 0.78 | — | — | |
| Alcohol SCHEMBL2727194 | 0.74 | ALDH1A1 (0.67) | — | |
| Alcohol SCHEMBL1765822 | 0.74 | — | — | |
| Alcohol SCHEMBL3342049 | 0.74 | — | — | |
| SCHEMBL25399170 | 0.72 | — | — | |
| SCHEMBL6437799 | 0.72 | — | — | |
| SCHEMBL3860578 | 0.72 | — | — | |
| SCHEMBL8500942 | 0.72 | — | — |
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-106178071-A | A kind of superabsorbent water dressing and preparation method thereof | 上海宏创医疗科技有限公司 | 2016-12-07 | — | — | CN | disclosed |