⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26700358 | 0.83 | — | — | |
| SCHEMBL3097731 | 0.83 | — | — | |
| SCHEMBL20385289 | 0.79 | — | — | |
| SCHEMBL26736851 | 0.74 | ALDH1A1 (0.37) | — | |
| SCHEMBL24484137 | 0.74 | ALDH1A1 (0.37) | — | |
| SCHEMBL9950688 | 0.74 | GABBR2 (0.34) | — | |
| SCHEMBL19669824 | 0.74 | ALDH1A1 (0.37) | — | |
| SCHEMBL16730500 | 0.72 | ALDH1A1 (0.35) | — | |
| SCHEMBL10242779 | 0.71 | — | — | |
| SCHEMBL9980178 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021238881-A1 | TRIAZOLONE COMPOUND | 南京明德新药研发有限公司 | 2021-12-02 | — | — | WO | disclosed |