⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2876 | 0.85 | — | — | |
| SCHEMBL27891632 | 0.80 | — | — | |
| SCHEMBL8683872 | 0.80 | — | — | |
| SCHEMBL11517241 | 0.80 | — | — | |
| SCHEMBL1778104 | 0.76 | — | — | |
| Butane SCHEMBL753951 | 0.75 | — | — | |
| Butane SCHEMBL28274012 | 0.70 | — | — | |
| Butane SCHEMBL968592 | 0.70 | — | — | |
| Butane SCHEMBL2304316 | 0.70 | TSHR (0.33) | — | |
| SCHEMBL18106937 | 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-103755525-B | A kind of preparation method of unsaturated alcohol | Jiangsu Subute New Materials Co., Ltd. (CN) | 2015-12-30 | — | — | CN | disclosed |