⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27500189 | 0.76 | — | — | |
| SCHEMBL4381127 | 0.69 | HDAC8 (0.45) | — | |
| SCHEMBL18599317 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL28070328 | 0.69 | — | — | |
| SCHEMBL22939495 | 0.69 | — | — | |
| SCHEMBL13951545 | 0.69 | — | — | |
| SCHEMBL27510995 | 0.65 | — | — | |
| SCHEMBL445984 | 0.65 | — | — | |
| SCHEMBL445983 | 0.65 | — | — | |
| SCHEMBL20660098 | 0.65 | — | — |
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-111377849-A | Compound, pharmaceutically acceptable salt thereof and medical application thereof | 中国人民解放军军事科学院军事医学研究院 | 2020-07-07 | — | — | CN | disclosed |