⚠ 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 SCHEMBL5485472 | 0.89 | — | — | |
| Hypochlorous Acid SCHEMBL305846 | 0.89 | — | — | |
| Hypochlorous Acid SCHEMBL28850541 | 0.80 | — | — | |
| Hypochlorous Acid SCHEMBL28470085 | 0.80 | — | — | |
| Hypochlorous Acid SCHEMBL7716913 | 0.80 | — | — | |
| Hypochlorous Acid SCHEMBL610763 | 0.80 | — | — | |
| Hypochlorous Acid SCHEMBL29176077 | 0.80 | — | — | |
| Hypochlorous Acid SCHEMBL10352265 | 0.80 | — | — | |
| Hypochlorous Acid SCHEMBL8823328 | 0.80 | — | — | |
| SCHEMBL30922366 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-113753957-B | MgMn 3 (OH) 6 Cl 2 Nano material and preparation method thereof | 吉林大学 | 2022-08-16 | — | — | CN | disclosed |