⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12825867 | 0.92 | — | — | |
| SCHEMBL1271049 | 0.92 | — | — | |
| SCHEMBL13339152 | 0.92 | — | — | |
| SCHEMBL22657699 | 0.86 | — | — | |
| SCHEMBL22657466 | 0.86 | — | — | |
| SCHEMBL22657467 | 0.86 | — | — | |
| SCHEMBL1512624 | 0.86 | — | — | |
| SCHEMBL1512623 | 0.86 | — | — | |
| SCHEMBL16769017 | 0.78 | ALDH1A1 (0.47) | — | |
| SCHEMBL887222 | 0.76 | ADH1A (0.32) | — |
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-2258695-A2 | Chroman derivatives and use thereof in liquid crystal media | Merck Patent GmbH (DE) | 2010-12-08 | — | — | EP | disclosed |