⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2832579 | 0.78 | HTR5A (0.58) | — | |
| SCHEMBL2878581 | 0.78 | HTR5A (0.58) | — | |
| SCHEMBL30528605 | 0.78 | HTR5A (0.58) | — | |
| SCHEMBL24519725 | 0.78 | HTR5A (0.44) | — | |
| SCHEMBL29713182 | 0.78 | HTR5A (0.58) | — | |
| SCHEMBL24692070 | 0.78 | HTR5A (0.58) | — | |
| SCHEMBL14089109 | 0.77 | HTR2A (0.47) | — | |
| SCHEMBL12152287 | 0.77 | NOX1 (0.48) | — | |
| SCHEMBL18269674 | 0.75 | HTR5A (0.41) | — | |
| SCHEMBL172934 | 0.75 | HTR5A (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10597391-B2 | Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof | ENANTA PHARMACEUTICALS, INC. (US) | 2020-03-24 | — | — | US | disclosed |