⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL41981 | 0.78 | — | — | |
| SCHEMBL7352441 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL11829521 | 0.75 | — | — | |
| SCHEMBL601920 | 0.73 | — | — | |
| SCHEMBL22457464 | 0.73 | CA1 (0.36) | — | |
| SCHEMBL6337087 | 0.73 | — | — | |
| SCHEMBL1408449 | 0.73 | — | — | |
| SCHEMBL43073 | 0.69 | — | — | |
| SCHEMBL26119603 | 0.69 | — | — | |
| SCHEMBL7319253 | 0.67 | ADAMTS4 (0.43) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3512851-A1 | BETA-LACTAMASE INHIBITOR COMPOUNDS | Entasis Therapeutics Limited (GB) | 2019-07-24 | — | — | EP | disclosed |
| WO-2018053215-A1 | BETA-LACTAMASE INHIBITOR COMPOUNDS | ENTASIS THERAPEUTICS LIMITED (GB) | 2018-03-22 | — | — | WO | disclosed |