⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25819385 | 0.70 | — | — | |
| SCHEMBL25819381 | 0.69 | CYP2A6 (0.41) | — | |
| SCHEMBL25818354 | 0.64 | HRH3 (0.32) | — | |
| SCHEMBL25819377 | 0.62 | TNKS (0.35) | — | |
| SCHEMBL25819397 | 0.59 | SLC6A2 (0.36) | — | |
| SCHEMBL25819374 | 0.58 | — | — | |
| SCHEMBL25966881 | 0.57 | — | — | |
| SCHEMBL31019623 | 0.57 | CHRNB4 (0.46) | — | |
| SCHEMBL11233734 | 0.57 | CHRNB4 (0.46) | — | |
| SCHEMBL25767855 | 0.57 | RIPK1 (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-20230219937-A1 | ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF | SANOFI (FR) | 2023-07-13 | — | — | US | disclosed |