⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29092715 | 1.00 | — | — | |
| SCHEMBL29981877 | 1.00 | — | — | |
| SCHEMBL29981464 | 0.88 | CPB2 (0.38) | — | |
| SCHEMBL29980962 | 0.88 | CPB2 (0.38) | — | |
| SCHEMBL29092706 | 0.88 | CPB2 (0.38) | — | |
| SCHEMBL29092508 | 0.88 | CPB2 (0.38) | — | |
| SCHEMBL29092510 | 0.88 | CPB2 (0.38) | — | |
| SCHEMBL28481584 | 0.87 | PPARD (0.33) | — | |
| SCHEMBL29981902 | 0.87 | PPARD (0.33) | — | |
| SCHEMBL29092256 | 0.87 | PPARD (0.33) | — |
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-111886227-B | Novel aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions containing them | 柳韩洋行 | 2023-10-13 | — | — | CN | disclosed |