⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7220875 | 0.74 | — | — | |
| SCHEMBL7220878 | 0.74 | — | — | |
| SCHEMBL7220874 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL17560914 | 0.72 | ALDH1A1 (0.34) | — | |
| SCHEMBL14911941 | 0.64 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL4393186 | 0.64 | TRPA1 (0.31) | — | |
| SCHEMBL24325666 | 0.62 | — | — | |
| SCHEMBL23929065 | 0.61 | SMN1; SMN2 (0.59) | — | |
| SCHEMBL321717 | 0.61 | SMN1; SMN2 (0.59) | — | |
| SCHEMBL6834247 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022053628-A1 | THIOPHENOXIME AND FURANOXIME SCAFFOLDS | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2022-03-17 | — | — | WO | disclosed |