⚠ 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 | |
|---|---|---|---|---|
| Malonaldehyde SCHEMBL9478503 | 0.95 | — | — | |
| Malonaldehyde SCHEMBL2429722 | 0.95 | — | — | |
| Malonaldehyde SCHEMBL711353 | 0.95 | — | — | |
| Malonaldehyde SCHEMBL1492514 | 0.95 | — | — | |
| Malonaldehyde SCHEMBL7658657 | 0.90 | — | — | |
| Malonaldehyde SCHEMBL16287 | 0.89 | — | — | |
| Malonaldehyde SCHEMBL10949336 | 0.89 | ALDH1A1 (0.42) | — | |
| Malonaldehyde SCHEMBL825464 | 0.84 | — | — | |
| Malonaldehyde SCHEMBL7515120 | 0.84 | — | — | |
| Malonaldehyde SCHEMBL3334683 | 0.84 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0933378-B1 | Quinolinone glycoside, production process, and anti-allergic agent | DAINIPPON INK & CHEMICALS (JP) | 2003-04-09 | — | — | EP | disclosed |
| US-6242425-B1 | SINAPIC ACID GLYCOSIDE INTERMEDIATES | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2001-06-05 | — | — | US | disclosed |
| EP-0933378-A1 | Quinolinone glycoside, production process, and anti-allergic agent | DAINIPPON INK AND CHEMICALS, INC. (JP) | 1999-08-04 | — | — | EP | disclosed |