⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL779414 | 0.79 | CA1 (0.35) | — | |
| SCHEMBL16045807 | 0.79 | — | — | |
| SCHEMBL16044873 | 0.79 | — | — | |
| SCHEMBL4131783 | 0.76 | — | — | |
| SCHEMBL19396334 | 0.74 | — | — | |
| SCHEMBL16044757 | 0.74 | — | — | |
| SCHEMBL28639619 | 0.74 | — | — | |
| SCHEMBL17369736 | 0.72 | CA2 (0.33) | — | |
| SCHEMBL8394764 | 0.70 | MMP2 (0.33) | — | |
| Ammonia Solution, Strong SCHEMBL29233628 | 0.70 | CA2 (0.32) | — |
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-104662018-A | Substituted hetero-bicyclic compounds, compositions and medicinal applications thereof | ADVINUS THERAPEUTICS LTD | 2015-05-27 | — | — | CN | disclosed |