⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28891355 | 0.78 | — | — | |
| Oroidin SCHEMBL28891358 | 0.64 | KCNA6 (0.65) | — | |
| Oroidin SCHEMBL12597862 | 0.64 | KCNA6 (0.65) | — | |
| Oroidin SCHEMBL14536687 | 0.64 | KCNA6 (0.65) | — | |
| SCHEMBL12598174 | 0.64 | AOC1 (0.40) | — | |
| SCHEMBL12598175 | 0.64 | KCNA6 (0.42) | — | |
| SCHEMBL13036735 | 0.64 | KCNA6 (0.67) | — | |
| Hydrochloric Acid SCHEMBL1518219 | 0.63 | AOC1 (0.39) | — | |
| SCHEMBL31324241 | 0.62 | KDM4E (0.41) | — | |
| Hydrochloric Acid SCHEMBL1518080 | 0.59 | — | — |
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-115362182-A | Hydrophilic oil-repellent polymers | 住友化学株式会社 | 2022-11-18 | — | — | CN | disclosed |