⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22736568 | 1.00 | — | — | |
| SCHEMBL14208408 | 1.00 | — | — | |
| SCHEMBL15509647 | 0.83 | ADRB2 (0.47) | — | |
| SCHEMBL25554597 | 0.80 | — | — | |
| SCHEMBL2249943 | 0.76 | — | — | |
| SCHEMBL4374793 | 0.76 | — | — | |
| SCHEMBL4373913 | 0.76 | — | — | |
| SCHEMBL4139553 | 0.76 | — | — | |
| SCHEMBL23777106 | 0.74 | — | — | |
| SCHEMBL20622928 | 0.74 | ADRB2 (0.41) | — |
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 1 patent. 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 |