⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7169072 | 0.74 | — | — | |
| SCHEMBL13039598 | 0.71 | — | — | |
| SCHEMBL1913508 | 0.69 | — | — | |
| SCHEMBL2712242 | 0.69 | DGAT1 (0.39) | — | |
| SCHEMBL25303728 | 0.67 | NFKB1 (0.39) | — | |
| SCHEMBL9331301 | 0.67 | — | — | |
| SCHEMBL1462429 | 0.67 | — | — | |
| SCHEMBL4147427 | 0.67 | ALDH1A1 (0.44) | — | |
| Water SCHEMBL9467349 | 0.67 | DGAT1 (0.37) | — | |
| SCHEMBL8519600 | 0.65 | — | — |
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-1067241-A | The method of terminal olefin oxidation system aldehyde | UNION CARBIDE CHEM PLASTIC (US) | 1992-12-23 | — | — | CN | disclosed |