⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL25261467 | 0.98 | — | — | |
| SCHEMBL18921421 | 0.71 | KCNH2 (0.36) | — | |
| SCHEMBL22456248 | 0.70 | DRD2 (0.50) | — | |
| SCHEMBL24222499 | 0.70 | DRD2 (0.50) | — | |
| SCHEMBL25255412 | 0.70 | — | — | |
| SCHEMBL22210950 | 0.69 | TRPM5 (0.36) | — | |
| SCHEMBL22256525 | 0.69 | CHRNB2 (0.36) | — | |
| SCHEMBL25428194 | 0.69 | CHRNB2 (0.36) | — | |
| SCHEMBL25258022 | 0.68 | CYP11B2 (0.32) | — | |
| SCHEMBL22233087 | 0.65 | — | — |
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 |