⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5614238 | 0.74 | ALDH1A1 (0.42) | — | |
| SCHEMBL22672631 | 0.74 | PDE7A (0.33) | — | |
| SCHEMBL24174428 | 0.70 | RAB9A (0.41) | — | |
| SCHEMBL16674962 | 0.70 | LMNA (0.38) | — | |
| SCHEMBL22672630 | 0.69 | PDE4A (0.32) | — | |
| SCHEMBL19919698 | 0.68 | BTK (0.31) | — | |
| SCHEMBL2627823 | 0.68 | TNKS2 (0.34) | — | |
| SCHEMBL17465964 | 0.67 | TRPA1 (0.41) | — | |
| SCHEMBL9590411 | 0.67 | NPC1 (0.35) | — | |
| SCHEMBL22672653 | 0.66 | LRRK2 (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 |
|---|---|---|---|---|---|---|---|
| US-20200361920-A1 | ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF | ENANTA PHARMACEUTICALS, INC. | 2020-11-19 | — | — | US | disclosed |