⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30681884 | 0.90 | — | — | |
| SCHEMBL28469794 | 0.83 | HDAC1 (0.32) | — | |
| SCHEMBL29040447 | 0.77 | — | — | |
| Boric Acid SCHEMBL27988681 | 0.76 | — | — | |
| SCHEMBL29267532 | 0.73 | TRPV4 (0.41) | — | |
| SCHEMBL3009013 | 0.72 | KCNH2 (0.34) | — | |
| SCHEMBL28999416 | 0.71 | CYP1A2 (0.33) | — | |
| SCHEMBL28069393 | 0.69 | CA1 (0.38) | — | |
| SCHEMBL28451946 | 0.69 | — | — | |
| SCHEMBL16908557 | 0.69 | FTO (0.40) | — |
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 |