⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22207607 | 0.67 | LDHA (0.31) | — | |
| SCHEMBL5344440 | 0.67 | GAA (0.33) | — | |
| SCHEMBL30616811 | 0.66 | — | — | |
| SCHEMBL22213907 | 0.63 | TSHR (0.44) | — | |
| SCHEMBL3064285 | 0.58 | GABRP (0.33) | — | |
| SCHEMBL10373419 | 0.58 | — | — | |
| SCHEMBL23991159 | 0.58 | S1PR1 (0.32) | — | |
| SCHEMBL22207603 | 0.57 | — | — | |
| SCHEMBL30524282 | 0.57 | SERPINE1 (0.43) | — | |
| SCHEMBL5696260 | 0.57 | SERPINE1 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0527736-A1 | ISOXAZOLE-4-CARBOXAMIDES AND HYDROXYALKYLIDENE-CYANOACETAMIDES, DRUGS CONTAINING THESE COMPOUNDS AND USE OF SUCH DRUGS. | HOECHST AG (DE) | 1993-02-24 | — | — | EP | disclosed |