⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5011834 | 0.99 | — | — | |
| SCHEMBL28239294 | 0.97 | — | — | |
| SCHEMBL28045742 | 0.77 | — | — | |
| SCHEMBL28319448 | 0.76 | — | — | |
| SCHEMBL28267207 | 0.75 | ALDH1A1 (0.34) | — | |
| SCHEMBL28218445 | 0.75 | ALDH1A1 (0.34) | — | |
| SCHEMBL28088146 | 0.75 | ALDH1A1 (0.34) | — | |
| SCHEMBL28985236 | 0.72 | — | — | |
| SCHEMBL28779399 | 0.72 | ALDH1A1 (0.30) | — | |
| SCHEMBL29259188 | 0.71 | — | — |
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-108503853-B | Covalent organic framework material based on secondary amino bonding and preparation method and application thereof | 武汉大学 | 2020-09-08 | — | — | CN | claimed |
| CN-108503853-B | Covalent organic framework material based on secondary amino bonding and preparation method and application thereof | 武汉大学 | 2020-09-08 | — | — | CN | disclosed |