⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL460908 | 0.78 | — | — | |
| SCHEMBL9281726 | 0.78 | — | — | |
| SCHEMBL163295 | 0.77 | — | — | |
| SCHEMBL1573981 | 0.76 | — | — | |
| SCHEMBL28283982 | 0.76 | TAS2R38 (0.46) | — | |
| SCHEMBL3064226 | 0.76 | — | — | |
| SCHEMBL169830 | 0.76 | — | — | |
| SCHEMBL29658289 | 0.76 | — | — | |
| Fluoride SCHEMBL22583589 | 0.76 | GLRA1 (0.41) | — | |
| SCHEMBL8347548 | 0.74 | TERT (0.38) | — |
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-106939248-B | Water-based carbon deposit cleaning composition for automobile | Foshan city cloud Technology Co. Ltd. (CN) | 2019-12-10 | — | — | CN | disclosed |