⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31403238 | 0.69 | — | — | |
| SCHEMBL31403241 | 0.65 | CHRM2 (0.30) | — | |
| SCHEMBL2843552 | 0.46 | — | — | |
| SCHEMBL21088419 | 0.46 | — | — | |
| SCHEMBL1008590 | 0.42 | ALDH1A1 (0.55) | — | |
| SCHEMBL17754231 | 0.41 | — | — | |
| SCHEMBL10302 | 0.40 | KIF11 (0.84) | — | |
| SCHEMBL394717 | 0.40 | TSHR (0.56) | — | |
| SCHEMBL130383 | 0.40 | TSHR (0.56) | — | |
| SCHEMBL22690065 | 0.40 | TSHR (0.30) | — |
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-119462522-A | N2-3-Fluoro-5-substituted phenyl-2-aminopyrimidine derivative, preparation method and medical application thereof | 浙江大学 | 2025-02-18 | — | — | CN | disclosed |