⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17764072 | 1.00 | — | — | |
| SCHEMBL2840047 | 0.84 | — | — | |
| SCHEMBL31232390 | 0.81 | ANPEP (0.34) | — | |
| SCHEMBL31232317 | 0.81 | ANPEP (0.34) | — | |
| SCHEMBL19136589 | 0.78 | — | — | |
| SCHEMBL12807817 | 0.78 | — | — | |
| SCHEMBL2548083 | 0.78 | — | — | |
| SCHEMBL18341084 | 0.76 | CYP2D6 (0.44) | — | |
| SCHEMBL15859369 | 0.75 | — | — | |
| SCHEMBL20186670 | 0.75 | — | — |
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-3313828-B1 | METALLO-BETA-LACTAMASE INHIBITORS | MERCK SHARP & DOHME LLC (US) | 2023-07-12 | — | — | EP | disclosed |
| US-10227331-B2 | Metallo-β-lactamase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2019-03-12 | — | — | US | disclosed |
| US-20180179190-A1 | METALLO-BETA-LACTAMASE INHIBITORS | Marck Sharp & Dohme Corp. (US) | 2018-06-28 | — | — | US | disclosed |
| EP-3313828-A1 | METALLO-BETA-LACTAMASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2018-05-02 | — | — | EP | disclosed |
| WO-2016210234-A1 | METALLO-BETA-LACTAMASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-12-29 | — | — | WO | disclosed |
| CN-104737075-A | Photocurable composition | 3M INNOVATIVE PROPERTIES CO | 2015-06-24 | — | — | CN | disclosed |