⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28297092 | 0.77 | — | — | |
| SCHEMBL21596301 | 0.71 | — | — | |
| SCHEMBL14646560 | 0.61 | — | — | |
| SCHEMBL14646607 | 0.61 | — | — | |
| SCHEMBL26085445 | 0.60 | — | — | |
| SCHEMBL17581091 | 0.58 | — | — | |
| SCHEMBL3939110 | 0.58 | — | — | |
| SCHEMBL14781242 | 0.57 | ALDH1A1 (0.33) | — | |
| SCHEMBL9028812 | 0.56 | — | — | |
| SCHEMBL22822175 | 0.56 | — | — |
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-108530402-A | The preparation method of one kind (R) -3- propyl-gamma-butyrolacton | 浙江工业大学 | 2018-09-14 | — | — | CN | disclosed |