⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4454962 | 0.88 | — | — | |
| SCHEMBL28685908 | 0.88 | — | — | |
| Water SCHEMBL28833533 | 0.78 | — | — | |
| SCHEMBL28952178 | 0.78 | — | — | |
| SCHEMBL1714304 | 0.74 | — | — | |
| SCHEMBL291375 | 0.74 | — | — | |
| SCHEMBL1375045 | 0.74 | — | — | |
| SCHEMBL21174911 | 0.74 | — | — | |
| SCHEMBL311864 | 0.74 | — | — | |
| SCHEMBL5166051 | 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-114082417-A | Supported noble metal honeycomb catalyst and preparation method and application thereof | 复旦大学 | 2022-02-25 | — | — | CN | disclosed |