⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24192087 | 0.83 | RET (0.31) | — | |
| SCHEMBL21907115 | 0.72 | RET (0.33) | — | |
| SCHEMBL16019485 | 0.72 | RET (0.32) | — | |
| SCHEMBL24192689 | 0.68 | — | — | |
| SCHEMBL23082926 | 0.67 | CNR2 (0.32) | — | |
| SCHEMBL21908095 | 0.66 | RORC (0.35) | — | |
| SCHEMBL21098175 | 0.63 | SMURF1 (0.31) | — | |
| SCHEMBL24490662 | 0.62 | — | — | |
| SCHEMBL21191286 | 0.61 | RET (0.36) | — | |
| SCHEMBL24632337 | 0.60 | RET (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11667629-B2 | Isoxazole derivative, preparation method therefor, and use thereof | SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) | 2023-06-06 | — | — | US | disclosed |
| US-20200339558-A1 | ISOXAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF | SICHUAN KELUN-BiOTECH BIGPHARMACEUTICAL CO., LTD. (CN) | 2020-10-29 | — | — | US | disclosed |