⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27470870 | 0.78 | — | — | |
| SCHEMBL11417292 | 0.76 | ACHE (0.33) | — | |
| SCHEMBL17818217 | 0.76 | ACHE (0.33) | — | |
| SCHEMBL27378219 | 0.76 | — | — | |
| SCHEMBL27389450 | 0.76 | — | — | |
| SCHEMBL215511 | 0.74 | — | — | |
| SCHEMBL2170603 | 0.72 | — | — | |
| SCHEMBL9743951 | 0.72 | — | — | |
| SCHEMBL10461759 | 0.72 | — | — | |
| SCHEMBL5773093 | 0.72 | — | — |
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-107652246-A | A kind of 3 [3 bromomethyls 6（Methyl sulphonyl）Phenyl] 4,5 2 Qingization isoxazoles preparation method | 江苏先导药业有限公司 | 2018-02-02 | — | — | CN | disclosed |