⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23502514 | 0.87 | TLR8 (0.31) | — | |
| SCHEMBL20047669 | 0.85 | TLR8 (0.31) | — | |
| SCHEMBL23502569 | 0.83 | TLR8 (0.32) | — | |
| SCHEMBL23502591 | 0.83 | — | — | |
| SCHEMBL23502551 | 0.82 | CNR2 (0.38) | — | |
| SCHEMBL23502553 | 0.80 | CNR1 (0.33) | — | |
| SCHEMBL23502431 | 0.78 | CNR2 (0.34) | — | |
| SCHEMBL23502550 | 0.78 | PDE4A (0.31) | — | |
| SCHEMBL23502571 | 0.77 | TLR7 (0.32) | — | |
| SCHEMBL23502581 | 0.76 | ESR1 (0.30) | — |
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-11034684-B2 | Isoxazole analogs as FXR agonists and methods of use thereof | ENANTA PHARMACEUTICALS, INC. (US) | 2021-06-15 | — | — | US | disclosed |