⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22730707 | 0.82 | CA2 (0.32) | — | |
| SCHEMBL23392522 | 0.70 | — | — | |
| SCHEMBL15936997 | 0.70 | — | — | |
| SCHEMBL20293776 | 0.67 | — | — | |
| SCHEMBL17357793 | 0.67 | — | — | |
| SCHEMBL22034605 | 0.64 | — | — | |
| SCHEMBL17351833 | 0.63 | CTSK (0.36) | — | |
| SCHEMBL18315429 | 0.63 | CTSK (0.32) | — | |
| SCHEMBL21203203 | 0.61 | — | — | |
| SCHEMBL13007522 | 0.59 | NOTUM (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 |
|---|---|---|---|---|---|---|---|
| EP-3744722-A1 | ß-LACTAMASE INHIBITOR AND USE THEREOF | Suzhou Sinovent Pharmaceuticals Co., Ltd. (CN) | 2020-12-02 | — | — | EP | disclosed |