⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23588018 | 0.97 | TSHR (0.39) | — | |
| SCHEMBL15410408 | 0.91 | — | — | |
| SCHEMBL5217870 | 0.81 | — | — | |
| SCHEMBL30678315 | 0.77 | — | — | |
| SCHEMBL59340 | 0.77 | — | — | |
| SCHEMBL13719304 | 0.77 | — | — | |
| SCHEMBL13719307 | 0.77 | — | — | |
| SCHEMBL6000672 | 0.77 | ALDH1A1 (0.64) | — | |
| SCHEMBL28986386 | 0.76 | TSHR (0.37) | — | |
| SCHEMBL23034205 | 0.76 | TSHR (0.42) | — |
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-119504498-A | Alkylnitrile compound containing fluoroalkyl N-acylhydrazone structural unit, and preparation method and application thereof | 西北师范大学 | 2025-02-25 | — | — | CN | disclosed |