⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31304847 | 0.82 | — | — | |
| SCHEMBL31304769 | 0.75 | — | — | |
| SCHEMBL20927651 | 0.73 | F2 (0.34) | — | |
| SCHEMBL31270117 | 0.73 | HTR6 (0.35) | — | |
| SCHEMBL23144580 | 0.73 | PDK1 (0.37) | — | |
| SCHEMBL29811656 | 0.73 | PDK1 (0.37) | — | |
| SCHEMBL29811519 | 0.72 | SMN1; SMN2 (0.40) | — | |
| SCHEMBL23144640 | 0.72 | SMN1; SMN2 (0.40) | — | |
| SCHEMBL19268875 | 0.71 | CA12 (0.38) | — | |
| SCHEMBL25033222 | 0.71 | LMNA (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2025031471-A1 | NOVEL HETEROCYCLIC COMPOUND FOR REGULATING P53 FUNCTION | 德睿智药(苏州)新药研发有限公司 | 2025-02-13 | — | — | WO | disclosed |