⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL96 | 0.75 | — | — | |
| SCHEMBL11595791 | 0.71 | — | — | |
| Phosphonic Acid SCHEMBL8386186 | 0.71 | — | — | |
| SCHEMBL8386183 | 0.70 | — | — | |
| SCHEMBL1832834 | 0.68 | — | — | |
| SCHEMBL1528219 | 0.67 | ALDH1A1 (0.30) | — | |
| SCHEMBL24050940 | 0.67 | — | — | |
| SCHEMBL7754376 | 0.62 | — | — | |
| SCHEMBL9356466 | 0.62 | — | — | |
| Phosphonic Acid SCHEMBL8387753 | 0.61 | AR (0.31) | — |
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-20070117854-A1 | Malononitrile compounds and use thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2007-05-24 | — | — | US | disclosed |