⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8112342 | 0.72 | — | — | |
| SCHEMBL1130839 | 0.67 | — | — | |
| Hypochlorous Acid SCHEMBL11416657 | 0.66 | — | — | |
| SCHEMBL1355803 | 0.65 | — | — | |
| SCHEMBL18099913 | 0.64 | — | — | |
| SCHEMBL22181497 | 0.64 | — | — | |
| SCHEMBL4444172 | 0.64 | — | — | |
| SCHEMBL16225021 | 0.64 | — | — | |
| SCHEMBL24223376 | 0.64 | — | — | |
| SCHEMBL1409873 | 0.64 | — | — |
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-20230143246-A1 | LIQUID PREPARATIONS OF AMINES AND ORGANIC ACIDS STABILIZED BY SALTS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2023-05-11 | — | — | US | disclosed |