⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27689796 | 0.77 | — | — | |
| SCHEMBL9562429 | 0.71 | — | — | |
| SCHEMBL11199640 | 0.69 | — | — | |
| SCHEMBL11199630 | 0.69 | — | — | |
| SCHEMBL4205700 | 0.65 | — | — | |
| SCHEMBL7868032 | 0.65 | — | — | |
| SCHEMBL9150754 | 0.63 | — | — | |
| SCHEMBL5137183 | 0.62 | — | — | |
| SCHEMBL17728711 | 0.62 | — | — | |
| SCHEMBL20506888 | 0.62 | — | — |
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-114806155-A | Double-resistance material and preparation method thereof | 上海化工研究院有限公司 | 2022-07-29 | — | — | CN | claimed |
| CN-114806155-A | Double-resistance material and preparation method thereof | 上海化工研究院有限公司 | 2022-07-29 | — | — | CN | disclosed |