⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29048289 | 1.00 | — | — | |
| SCHEMBL25816416 | 0.92 | — | — | |
| SCHEMBL17476557 | 0.79 | — | — | |
| SCHEMBL17476559 | 0.79 | — | — | |
| SCHEMBL1942189 | 0.74 | — | — | |
| SCHEMBL98249 | 0.74 | — | — | |
| SCHEMBL1942816 | 0.74 | — | — | |
| SCHEMBL20335170 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL29216976 | 0.69 | HTT (0.32) | — | |
| SCHEMBL29216979 | 0.69 | HTT (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116547281-A | Isoxazolidines as RIPK1 inhibitors and uses thereof | 赛诺菲 | 2023-08-04 | — | — | CN | disclosed |