⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28705103 | 0.92 | CCNT1 (0.49) | — | |
| SCHEMBL28876160 | 0.89 | — | — | |
| SCHEMBL28707614 | 0.88 | PTK2 (0.54) | — | |
| SCHEMBL28876159 | 0.83 | — | — | |
| SCHEMBL28702063 | 0.81 | PTK2 (0.52) | — | |
| SCHEMBL655910 | 0.81 | GSK3A (0.68) | — | |
| SCHEMBL28876166 | 0.81 | FLT3 (0.55) | — | |
| SCHEMBL27612681 | 0.80 | — | — | |
| SCHEMBL27631714 | 0.80 | — | — | |
| SCHEMBL27631645 | 0.80 | SYK (0.67) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114230524-A | (5-fluoro-2-anilinopyrimidin-4-yl) amino-N-hydroxybenzamide derivative and preparation method and application thereof | 南通大学 | 2022-03-25 | — | — | CN | disclosed |
| CN-114031559-A | Aryl nitrogen-containing heterocycle modified 5-fluoro-pyrimidinediamine benzoate and preparation method and application thereof | 南通大学 | 2022-02-11 | — | — | CN | disclosed |