⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18196176 | 0.77 | BIRC2 (0.36) | — | |
| SCHEMBL10380768 | 0.75 | — | — | |
| SCHEMBL28185688 | 0.74 | — | — | |
| SCHEMBL10522013 | 0.72 | — | — | |
| SCHEMBL8207333 | 0.70 | — | — | |
| SCHEMBL1188965 | 0.70 | — | — | |
| SCHEMBL1189608 | 0.70 | — | — | |
| SCHEMBL82072 | 0.70 | — | — | |
| SCHEMBL16091366 | 0.69 | — | — | |
| SCHEMBL28048803 | 0.69 | BIRC2 (0.49) | — |
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-116887827-A | Compounds and methods for modulating FXR | 拓臻制药公司 | 2023-10-13 | — | — | CN | disclosed |