⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL978 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL30521236 | 0.92 | — | — | |
| Methyl Alcohol SCHEMBL27604198 | 0.89 | — | — | |
| Dimethylamine SCHEMBL28182551 | 0.86 | — | — | |
| Acetic Acid SCHEMBL11286573 | 0.78 | FFAR3 (0.39) | — | |
| Dimethylformamide SCHEMBL2184967 | 0.78 | TSHR (0.50) | — | |
| SCHEMBL19391024 | 0.76 | — | — | |
| Tetrahydrofuran SCHEMBL19856413 | 0.74 | ALDH1A1 (0.40) | — | |
| SCHEMBL15177569 | 0.72 | ALDH1A1 (0.30) | — | |
| SCHEMBL17959949 | 0.68 | ALDH1A1 (0.42) | — |
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-111386276-B | Stereoselective process for preparing substituted polycyclic pyridone derivatives | 盐野义制药株式会社 | 2023-06-23 | — | — | CN | disclosed |