⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21362163 | 1.00 | — | — | |
| SCHEMBL21550006 | 0.84 | — | — | |
| SCHEMBL21362046 | 0.84 | — | — | |
| SCHEMBL21550005 | 0.84 | — | — | |
| SCHEMBL20157695 | 0.83 | — | — | |
| SCHEMBL21362179 | 0.83 | — | — | |
| SCHEMBL21362207 | 0.82 | — | — | |
| SCHEMBL21550061 | 0.82 | — | — | |
| SCHEMBL21352211 | 0.82 | — | — | |
| SCHEMBL21550063 | 0.82 | — | — |
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-111819181-A | Benzo-seven-membered heterocyclic compound, preparation method, pharmaceutical composition and application thereof | 罗欣药业(上海)有限公司 | 2020-10-23 | — | — | CN | disclosed |