⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2394301 | 0.78 | — | — | |
| SCHEMBL1991784 | 0.73 | — | — | |
| SCHEMBL201982 | 0.73 | — | — | |
| SCHEMBL652993 | 0.67 | — | — | |
| SCHEMBL7205228 | 0.67 | — | — | |
| SCHEMBL7208048 | 0.67 | — | — | |
| SCHEMBL9751331 | 0.67 | — | — | |
| SCHEMBL177914 | 0.65 | — | — | |
| SCHEMBL5691749 | 0.65 | — | — | |
| SCHEMBL812856 | 0.65 | — | — |
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-118290689-A | Polyurethane foam and preparation method thereof | 万华化学集团股份有限公司 | 2024-07-05 | — | — | CN | claimed |
| CN-118290689-A | Polyurethane foam and preparation method thereof | 万华化学集团股份有限公司 | 2024-07-05 | — | — | CN | disclosed |