⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7682802 | 1.00 | — | — | |
| SCHEMBL9082060 | 1.00 | — | — | |
| SCHEMBL7680693 | 1.00 | — | — | |
| SCHEMBL7682727 | 1.00 | — | — | |
| Acetic Acid SCHEMBL7689911 | 0.94 | — | — | |
| Acetic Acid SCHEMBL7682724 | 0.94 | — | — | |
| Acetic Acid SCHEMBL7686755 | 0.94 | — | — | |
| Acetic Acid SCHEMBL7682272 | 0.94 | — | — | |
| Maleic Acid SCHEMBL7687668 | 0.92 | — | — | |
| SCHEMBL9084253 | 0.83 | SPHK2 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5488063-A | ANTIINFLAMMATORY, ANTICARACINOGENIC AGENTS; BACTERICIDES, FUNGICIDES | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1996-01-30 | — | — | US | claimed |