⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23129663 | 0.92 | TSHR (0.33) | — | |
| SCHEMBL17347664 | 0.92 | TSHR (0.33) | — | |
| SCHEMBL23130160 | 0.90 | — | — | |
| SCHEMBL23837482 | 0.89 | — | — | |
| SCHEMBL23130157 | 0.89 | — | — | |
| SCHEMBL17347760 | 0.88 | PRKCB (0.32) | — | |
| SCHEMBL23129660 | 0.88 | PRKCB (0.32) | — | |
| SCHEMBL17336987 | 0.87 | ACLY (0.31) | — | |
| SCHEMBL17336985 | 0.87 | ACLY (0.31) | — | |
| SCHEMBL23837520 | 0.86 | PARP1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3882252-A1 | BETA-LACTAMASE INHIBITORS | Venatorx Pharmaceuticals, Inc. (US) | 2021-09-22 | — | — | EP | disclosed |