⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25816473 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL25262088 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL30338960 | 0.98 | — | — | |
| SCHEMBL30338791 | 0.80 | LRRK2 (0.33) | — | |
| SCHEMBL25816724 | 0.80 | LRRK2 (0.33) | — | |
| SCHEMBL25816643 | 0.76 | CTSS (0.32) | — | |
| SCHEMBL31200163 | 0.76 | OPRK1 (0.31) | — | |
| SCHEMBL22210926 | 0.76 | OPRK1 (0.31) | — | |
| SCHEMBL25816529 | 0.76 | OPRK1 (0.31) | — | |
| SCHEMBL27704182 | 0.75 | CHRNB2 (0.39) | — |
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 |