⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19801548 | 1.00 | — | — | |
| SCHEMBL11764097 | 0.72 | — | — | |
| SCHEMBL11579920 | 0.69 | — | — | |
| SCHEMBL12418929 | 0.67 | — | — | |
| SCHEMBL12326483 | 0.67 | — | — | |
| SCHEMBL12380061 | 0.63 | — | — | |
| SCHEMBL12380097 | 0.63 | — | — | |
| SCHEMBL24187648 | 0.62 | — | — | |
| SCHEMBL15149718 | 0.62 | ALDH1A1 (0.33) | — | |
| SCHEMBL24187755 | 0.62 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3489234-B1 | MONOCYCLIC B-LACTAM-IRON CARRIER CONJUGATE, AND MANUFACTURING METHOD AND APPLICATION THEREOF | SHANGHAI INST MATERIA MEDICA CAS (CN) | 2020-03-18 | — | — | EP | disclosed |
| EP-3489234-A1 | MONOCYCLIC B-LACTAM-IRON CARRIER CONJUGATE, AND MANUFACTURING METHOD AND APPLICATION THEREOF | Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) | 2019-05-29 | — | — | EP | disclosed |
| EP-3390357-A1 | BIARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS | Merck Sharp & Dohme Corp. (US) | 2018-10-24 | — | — | EP | disclosed |
| CN-108368040-A | Diaryl monocyclic β -lactam compounds and methods of use thereof for treating bacterial infections | 默沙东公司 | 2018-08-03 | — | — | CN | disclosed |
| WO-2018014823-A1 | MONOCYCLIC Β-LACTAM-IRON CARRIER CONJUGATE, AND MANUFACTURING METHOD AND APPLICATION THEREOF | 中国科学院上海药物研究所 | 2018-01-25 | — | — | WO | disclosed |
| WO-2017106064-A1 | BIARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS | MERCK SHARP & DOHME CORP. (US) | 2017-06-22 | — | — | WO | disclosed |