⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1852390 | 1.00 | — | — | |
| SCHEMBL28612865 | 1.00 | ALDH1A1 (0.40) | — | |
| SCHEMBL29457685 | 1.00 | ALDH1A1 (0.40) | — | |
| SCHEMBL774871 | 1.00 | ALDH1A1 (0.40) | — | |
| Hydrochloric Acid SCHEMBL22471233 | 0.96 | ALDH1A1 (0.38) | — | |
| Hydrochloric Acid SCHEMBL8521950 | 0.96 | — | — | |
| Benzene SCHEMBL28128746 | 0.96 | ALDH1A1 (0.43) | — | |
| SCHEMBL49436 | 0.96 | — | — | |
| Bromide SCHEMBL10514507 | 0.92 | ALDH1A1 (0.40) | — | |
| Water SCHEMBL22231695 | 0.92 | — | — |
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-114369096-A | Triheterocyclic derivatives, pharmaceutical compositions and uses thereof | 上海迪诺医药科技有限公司 | 2022-04-19 | — | — | CN | disclosed |