⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28681401 | 0.95 | — | — | |
| SCHEMBL28570930 | 0.88 | — | — | |
| SCHEMBL28647614 | 0.78 | — | — | |
| SCHEMBL28667732 | 0.78 | — | — | |
| SCHEMBL28709203 | 0.78 | — | — | |
| Water SCHEMBL28833533 | 0.78 | — | — | |
| SCHEMBL5166051 | 0.74 | — | — | |
| SCHEMBL2802263 | 0.74 | — | — | |
| SCHEMBL5091851 | 0.74 | — | — | |
| SCHEMBL926041 | 0.74 | — | — |
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-115697556-A | Catalyst-supporting substrate and catalytic converter | 日铁化学材料株式会社 | 2023-02-03 | — | — | CN | disclosed |