⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28705646 | 1.00 | — | — | |
| SCHEMBL2304849 | 0.83 | — | — | |
| SCHEMBL1063327 | 0.83 | — | — | |
| SCHEMBL685290 | 0.80 | — | — | |
| SCHEMBL686167 | 0.80 | — | — | |
| SCHEMBL20547898 | 0.79 | ALDH1A1 (0.39) | — | |
| SCHEMBL6876173 | 0.77 | ALDH1A1 (0.46) | — | |
| SCHEMBL9579361 | 0.77 | — | — | |
| SCHEMBL12445294 | 0.77 | ALDH1A1 (0.46) | — | |
| SCHEMBL333504 | 0.77 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114591223-B | Beta-lactamase inhibitor compounds | 恩塔西斯治疗有限公司 | 2025-01-24 | — | — | CN | disclosed |
| CN-114591223-A | Beta-lactamase inhibitor compounds | 恩塔西斯治疗有限公司 | 2022-06-07 | — | — | CN | disclosed |
| CN-109715630-B | Beta-lactamase inhibitor compounds | 恩塔西斯治疗有限公司 | 2022-02-22 | — | — | CN | disclosed |