⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13479373 | 1.00 | — | — | |
| SCHEMBL5420414 | 1.00 | — | — | |
| SCHEMBL761643 | 0.81 | — | — | |
| SCHEMBL708860 | 0.81 | — | — | |
| SCHEMBL14002730 | 0.78 | — | — | |
| SCHEMBL8940856 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL29118295 | 0.78 | — | — | |
| SCHEMBL20291784 | 0.74 | — | — | |
| SCHEMBL419677 | 0.74 | — | — | |
| SCHEMBL14002744 | 0.74 | — | — |
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-20200375987-A1 | METALLO-BETA-LACTAMASE INHIBITORS AND METHODS OF USE THEREOF | MERCK SHARP & DOHME CORP. (US) | 2020-12-03 | — | — | US | disclosed |
| WO-2019135920-A1 | METALLO-BETA-LACTAMASE INHIBITORS AND METHODS OF USE THEREOF | MERCK SHARP & DOHME CORP. (US) | 2019-07-11 | — | — | WO | disclosed |