⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2872530 | 0.63 | — | — | |
| SCHEMBL2391324 | 0.59 | — | — | |
| Acrylic Acid SCHEMBL28194975 | 0.59 | — | — | |
| Acrylic Acid SCHEMBL28179391 | 0.57 | — | — | |
| Acrylic Acid SCHEMBL8605874 | 0.57 | LMNA (0.71) | — | |
| Bicarbonate SCHEMBL28294462 | 0.57 | LMNA (0.41) | — | |
| SCHEMBL16158993 | 0.52 | LMNA (0.35) | — | |
| Acrylic Acid SCHEMBL30300770 | 0.52 | LMNA (0.77) | — | |
| Acrylic Acid SCHEMBL30929989 | 0.52 | LMNA (0.77) | — | |
| Bicarbonate SCHEMBL25427822 | 0.52 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1133844-A | Osa-or thia-aliphatically bridged quinoxaline-2,3-diones | CIBA GEIGY AG (CH) | 1996-10-23 | — | — | CN | disclosed |
| EP-0705835-A1 | Quinoxalic-2,3-diones with an oxa or thiaheterocyclic fused ring | CIBA-GEIGY AG (CH) | 1996-04-10 | — | — | EP | disclosed |