⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29459723 | 0.80 | — | — | |
| SCHEMBL58273 | 0.80 | — | — | |
| SCHEMBL30828492 | 0.80 | TSHR (0.52) | — | |
| SCHEMBL11865745 | 0.78 | ALDH1A1 (0.95) | — | |
| O-Xylene SCHEMBL28610813 | 0.78 | ALDH1A1 (0.95) | — | |
| SCHEMBL29030634 | 0.78 | ALDH1A1 (0.95) | — | |
| SCHEMBL29093512 | 0.78 | ALDH1A1 (0.95) | — | |
| Hydrochloric Acid SCHEMBL28555033 | 0.78 | ALDH1A1 (0.95) | — | |
| Fluoride SCHEMBL1403995 | 0.78 | ALDH1A1 (0.95) | — | |
| Ammonia Solution, Strong SCHEMBL28194421 | 0.78 | ALDH1A1 (0.95) | — |
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-113651663-B | Preparation method of deuterated aromatic carbonyl compound | 浙大宁波理工学院 | 2024-03-29 | — | — | CN | disclosed |