⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL295379 | 0.79 | — | — | |
| SCHEMBL9885529 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL8632819 | 0.62 | ALDH1A1 (0.33) | — | |
| SCHEMBL35261 | 0.60 | — | — | |
| SCHEMBL14597187 | 0.60 | — | — | |
| SCHEMBL12853520 | 0.59 | GSK3A (0.36) | — | |
| SCHEMBL30979232 | 0.57 | — | — | |
| SCHEMBL12853572 | 0.56 | — | — | |
| SCHEMBL13507263 | 0.55 | — | — | |
| SCHEMBL9872632 | 0.55 | — | — |
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-109790149-B | Phenoxytriazoles | 豪夫迈·罗氏有限公司 | 2022-05-17 | — | — | CN | disclosed |