⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27530 | 0.91 | — | — | |
| SCHEMBL10809007 | 0.83 | — | — | |
| Water SCHEMBL27883451 | 0.83 | — | — | |
| SCHEMBL20607 | 0.83 | — | — | |
| Hydrogen Sulfide SCHEMBL313917 | 0.83 | — | — | |
| SCHEMBL5506274 | 0.77 | — | — | |
| SCHEMBL157501 | 0.72 | — | — | |
| Water SCHEMBL7154111 | 0.72 | — | — | |
| SCHEMBL4777764 | 0.68 | — | — | |
| SCHEMBL15333695 | 0.68 | — | — |
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-104903098-A | Gas barrier film having protective coating layer stacked thereon including inorganic particles | LG CHEMICAL LTD | 2015-09-09 | — | — | CN | disclosed |