⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17487 | 0.97 | — | — | |
| SCHEMBL6769853 | 0.93 | — | — | |
| Methylene Chloride SCHEMBL28172456 | 0.88 | — | — | |
| Benzene SCHEMBL28078826 | 0.88 | ALDH1A1 (0.32) | — | |
| SCHEMBL273654 | 0.88 | — | — | |
| Formic Acid SCHEMBL28410505 | 0.83 | — | — | |
| Sulfamate SCHEMBL29092447 | 0.83 | CA1 (0.42) | — | |
| Formic Acid SCHEMBL1851977 | 0.81 | — | — | |
| Tert-Butanol SCHEMBL1676234 | 0.81 | — | — | |
| SCHEMBL277880 | 0.77 | — | — |
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-107427527-A | Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof | 英安塔制药有限公司 | 2017-12-01 | — | — | CN | disclosed |