⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7128915 | 0.73 | — | — | |
| SCHEMBL2979207 | 0.69 | — | — | |
| SCHEMBL10347916 | 0.68 | TSHR (0.31) | — | |
| SCHEMBL7117939 | 0.68 | — | — | |
| SCHEMBL295445 | 0.67 | CYP2D6 (0.30) | — | |
| SCHEMBL7179847 | 0.67 | — | — | |
| SCHEMBL19178734 | 0.66 | TRIM24 (0.38) | — | |
| SCHEMBL8461935 | 0.66 | TRIM24 (0.38) | — | |
| SCHEMBL8461479 | 0.66 | TRIM24 (0.38) | — | |
| SCHEMBL19178733 | 0.66 | TRIM24 (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 |
|---|---|---|---|---|---|---|---|
| WO-2024005520-A1 | INTESTINE-SPECIFIC PARTIAL AGONISTS OF FARNESOID X RECEPTOR AND USES THEREOF | EWHA DrugDesignHouse Co.,Ltd. (KR) | 2024-01-04 | — | — | WO | disclosed |