⚠ 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 | |
|---|---|---|---|---|
| Hypochlorous Acid SCHEMBL811532 | 0.87 | — | — | |
| Hypochlorous Acid SCHEMBL27541286 | 0.87 | TSHR (0.60) | — | |
| Hypochlorous Acid SCHEMBL28907544 | 0.87 | TSHR (0.60) | — | |
| Hypochlorous Acid SCHEMBL482943 | 0.87 | — | — | |
| Hypochlorous Acid SCHEMBL15644 | 0.87 | — | — | |
| SCHEMBL143391 | 0.87 | — | — | |
| SCHEMBL30922366 | 0.87 | — | — | |
| Hypochlorous Acid SCHEMBL23533344 | 0.75 | TSHR (0.50) | — | |
| Hypochlorous Acid SCHEMBL22660860 | 0.75 | TSHR (0.50) | — | |
| Hypochlorous Acid SCHEMBL20549613 | 0.75 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107735357-B | Preparation of oxidizing agents | Z·巴达什 | 2021-11-23 | — | — | CN | disclosed |
| CN-107735357-A | Preparation of oxidizing agents | Z5环球集团有限公司 | 2018-02-23 | — | — | CN | disclosed |