⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4342558 | 0.93 | — | — | |
| SCHEMBL187409 | 0.90 | ALDH1A1 (0.55) | — | |
| SCHEMBL3976543 | 0.90 | — | — | |
| SCHEMBL24073037 | 0.86 | — | — | |
| SCHEMBL23153412 | 0.77 | MEN1 (0.56) | — | |
| SCHEMBL3976766 | 0.73 | — | — | |
| SCHEMBL2693942 | 0.73 | CYP1A2 (0.59) | — | |
| SCHEMBL16622647 | 0.73 | GNAI3 (0.39) | — | |
| SCHEMBL3088295 | 0.73 | — | — | |
| SCHEMBL872152 | 0.72 | ALDH1A1 (0.81) | — |
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-20230018460-A1 | 1-AMINOSULFONYL-2-CARBOXYPYRROLE DERIVATIVES AS METALLO-BETA-LACTAMASE INHIBITORS | Infex Therapeutics Limited (GB) | 2023-01-19 | — | — | US | disclosed |