⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL331337 | 1.00 | — | — | |
| SCHEMBL5169827 | 0.88 | — | — | |
| SCHEMBL7977089 | 0.82 | ALDH1A1 (0.39) | — | |
| SCHEMBL901387 | 0.82 | — | — | |
| SCHEMBL23957767 | 0.79 | — | — | |
| SCHEMBL243254 | 0.70 | — | — | |
| SCHEMBL51387 | 0.70 | — | — | |
| SCHEMBL16312835 | 0.70 | — | — | |
| Isopropyl Alcohol SCHEMBL7807855 | 0.67 | — | — | |
| SCHEMBL173255 | 0.67 | — | — |
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-113456828-A | Redox-responsive sequential drug delivery system and preparation method and application thereof | 广州市第一人民医院（广州消化疾病中心、广州医科大学附属市一人民医院、华南理工大学附属第二医院） | 2021-10-01 | — | — | CN | disclosed |