⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL341760 | 0.89 | HSD17B10 (0.35) | — | |
| SCHEMBL13108277 | 0.86 | HSD17B10 (0.33) | — | |
| SCHEMBL811626 | 0.85 | CYP3A4 (0.47) | — | |
| SCHEMBL13108276 | 0.84 | HTT (0.42) | — | |
| SCHEMBL13108274 | 0.84 | CYP3A4 (0.41) | — | |
| SCHEMBL6236880 | 0.83 | — | — | |
| SCHEMBL617890 | 0.82 | ALDH1A1 (0.36) | — | |
| SCHEMBL28531497 | 0.80 | CA2 (0.31) | — | |
| Hydrochloric Acid SCHEMBL38656673 | 0.80 | CYP3A4 (0.38) | — | |
| SCHEMBL31671410 | 0.80 | HTT (0.39) | — |
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-112533887-A | Salts of diamino acetals and diamino ketals, their synthesis and their conversion to diamino acetals and diamino ketals | 阿迪蒂亚博拉化学品(美国)有限责任公司 | 2021-03-19 | — | — | CN | disclosed |