⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25835914 | 0.87 | — | — | |
| SCHEMBL456288 | 0.79 | — | — | |
| SCHEMBL840550 | 0.79 | — | — | |
| SCHEMBL25702185 | 0.78 | — | — | |
| SCHEMBL13045664 | 0.77 | — | — | |
| SCHEMBL1569411 | 0.77 | — | — | |
| SCHEMBL14798711 | 0.76 | — | — | |
| SCHEMBL20460583 | 0.76 | — | — | |
| SCHEMBL4855767 | 0.75 | — | — | |
| SCHEMBL1562312 | 0.75 | TSHR (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018053215-A1 | BETA-LACTAMASE INHIBITOR COMPOUNDS | ENTASIS THERAPEUTICS LIMITED (GB) | 2018-03-22 | — | — | WO | disclosed |