⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17517018 | 0.83 | — | — | |
| SCHEMBL19062931 | 0.83 | — | — | |
| SCHEMBL13211870 | 0.83 | — | — | |
| SCHEMBL17517019 | 0.83 | — | — | |
| SCHEMBL19122090 | 0.83 | — | — | |
| SCHEMBL13017683 | 0.83 | — | — | |
| SCHEMBL18634424 | 0.83 | — | — | |
| SCHEMBL10203797 | 0.83 | — | — | |
| SCHEMBL8061439 | 0.83 | — | — | |
| SCHEMBL2473867 | 0.77 | NOS2 (0.35) | — |
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-20240239800-A1 | PYRROLO[2,3-D]PYRIMIDIN-2-ONE ANTIMICROBIAL COMPOUNDS | RIB-X PHARMACEUTICALS, INC. | 2024-07-18 | — | — | US | disclosed |