⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL293657 | 0.89 | — | — | |
| SCHEMBL27578654 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL556931 | 0.87 | — | — | |
| Hydrogen Sulfide SCHEMBL27831551 | 0.87 | — | — | |
| Methane SCHEMBL27640065 | 0.87 | — | — | |
| Iodide SCHEMBL180143 | 0.87 | — | — | |
| Ammonia Solution, Strong SCHEMBL28215623 | 0.87 | — | — | |
| Bromide SCHEMBL557295 | 0.87 | — | — | |
| Fluoride SCHEMBL1898578 | 0.87 | — | — | |
| Water SCHEMBL28192246 | 0.87 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105441503-B | A kind of method that enzymatic reaction prepares 2,3- epoxypinane | 陕西师范大学 | 2019-06-11 | — | — | CN | disclosed |
| CN-108054376-A | Seleno composite material is used as application of the positive electrode active materials in barium ions battery, barium ions battery and preparation method thereof | 深圳先进技术研究院 | 2018-05-18 | — | — | CN | disclosed |