⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27707123 | 0.87 | — | — | |
| Fluoride SCHEMBL9695953 | 0.87 | — | — | |
| SCHEMBL2156566 | 0.82 | — | — | |
| SCHEMBL1004887 | 0.82 | — | — | |
| SCHEMBL4936372 | 0.82 | — | — | |
| Water SCHEMBL19064298 | 0.78 | — | — | |
| SCHEMBL1648402 | 0.78 | — | — | |
| SCHEMBL3402787 | 0.67 | — | — | |
| SCHEMBL15992187 | 0.67 | — | — | |
| SCHEMBL5179421 | 0.67 | — | — |
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-113304745-B | Pt-Pd-Rh ternary catalyst and preparation method thereof | 中自环保科技股份有限公司 | 2022-08-12 | — | — | CN | disclosed |
| CN-113304745-A | Pt-Pd-Rh ternary catalyst and preparation method thereof | 中自环保科技股份有限公司 | 2021-08-27 | — | — | CN | disclosed |