⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL942528 | 0.82 | — | — | |
| SCHEMBL27946604 | 0.82 | — | — | |
| SCHEMBL472027 | 0.82 | — | — | |
| SCHEMBL29262523 | 0.67 | — | — | |
| SCHEMBL31497483 | 0.67 | — | — | |
| SCHEMBL28705696 | 0.67 | — | — | |
| SCHEMBL22713670 | 0.67 | — | — | |
| SCHEMBL31630802 | 0.67 | — | — | |
| SCHEMBL18043783 | 0.67 | — | — | |
| SCHEMBL2127367 | 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-113477241-B | Ternary composite photocatalyst and preparation method and application thereof | 华南理工大学 | 2021-12-17 | — | — | CN | disclosed |
| CN-113477241-A | Ternary composite photocatalyst and preparation method and application thereof | 华南理工大学 | 2021-10-08 | — | — | CN | disclosed |