⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22667839 | 0.70 | — | — | |
| SCHEMBL23399109 | 0.53 | TSHR (0.30) | — | |
| SCHEMBL1004361 | 0.51 | — | — | |
| SCHEMBL1229156 | 0.49 | KDM4E (0.31) | — | |
| SCHEMBL18823590 | 0.48 | NOS3 (0.32) | — | |
| SCHEMBL16002393 | 0.48 | KDM5A (0.32) | — | |
| SCHEMBL21290178 | 0.48 | KDM4E (0.32) | — | |
| SCHEMBL9345587 | 0.47 | GAA (0.31) | — | |
| SCHEMBL9344582 | 0.47 | KDM4E (0.30) | — | |
| SCHEMBL9345546 | 0.47 | GAA (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11230543-B2 | Biaryl monobactam compounds and methods of use thereof for the treatment of bacterial infections | MERCK SHARP & DOHME CORP. (US) | 2022-01-25 | — | — | US | disclosed |
| US-20200361928-A1 | BIARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS | MERCK SHARP & DOHME CORP. (US) | 2020-11-19 | — | — | US | disclosed |