⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL417218 | 0.88 | — | — | |
| SCHEMBL417219 | 0.88 | — | — | |
| SCHEMBL13947471 | 0.88 | — | — | |
| Dioxane SCHEMBL28520859 | 0.87 | — | — | |
| Butadiene SCHEMBL11652705 | 0.85 | TSHR (0.41) | — | |
| SCHEMBL13268237 | 0.77 | — | — | |
| SCHEMBL28995244 | 0.77 | TSHR (0.39) | — | |
| SCHEMBL172568 | 0.77 | — | — | |
| SCHEMBL10400481 | 0.77 | — | — | |
| SCHEMBL5700629 | 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-108129299-B | Method for preparing 1, 3-pentadiene from xylitol | 中国科学院大连化学物理研究所 | 2021-01-05 | — | — | CN | disclosed |