⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19138056 | 0.74 | ALDH1A1 (0.44) | — | |
| SCHEMBL51408 | 0.72 | — | — | |
| SCHEMBL27653983 | 0.70 | ALDH1A1 (0.43) | — | |
| SCHEMBL1703143 | 0.70 | — | — | |
| Water SCHEMBL15210122 | 0.70 | ALDH1A1 (0.41) | — | |
| SCHEMBL28562323 | 0.70 | ALDH1A1 (0.41) | — | |
| SCHEMBL15033394 | 0.70 | — | — | |
| Water SCHEMBL3454746 | 0.70 | ALDH1A1 (0.41) | — | |
| SCHEMBL22612036 | 0.70 | — | — | |
| SCHEMBL686972 | 0.70 | — | — |
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-114956925-A | Green and efficient preparation method of aliphatic ketone | 中国人民解放军海军军医大学 | 2022-08-30 | — | — | CN | disclosed |