⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL209332 | 0.88 | — | — | |
| SCHEMBL80952 | 0.81 | — | — | |
| Formamide SCHEMBL9479873 | 0.80 | MAPT (0.30) | — | |
| SCHEMBL7400280 | 0.79 | TDP1 (0.40) | — | |
| SCHEMBL1767964 | 0.78 | — | — | |
| SCHEMBL5526840 | 0.78 | — | — | |
| SCHEMBL1997885 | 0.78 | — | — | |
| SCHEMBL14813248 | 0.78 | — | — | |
| SCHEMBL8564913 | 0.78 | KDM4E (0.30) | — | |
| SCHEMBL9460205 | 0.76 | — | — |
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-0705835-A1 | Quinoxalic-2,3-diones with an oxa or thiaheterocyclic fused ring | CIBA-GEIGY AG (CH) | 1996-04-10 | — | — | EP | disclosed |