⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3102090 | 1.00 | — | — | |
| SCHEMBL3102093 | 1.00 | — | — | |
| Bicarbonate SCHEMBL9579037 | 0.81 | ALDH1A1 (0.52) | — | |
| Bicarbonate SCHEMBL702474 | 0.81 | ALDH1A1 (0.52) | — | |
| SCHEMBL11806490 | 0.79 | ALDH1A1 (0.41) | — | |
| SCHEMBL6718036 | 0.78 | — | — | |
| SCHEMBL6718044 | 0.78 | — | — | |
| SCHEMBL7776268 | 0.78 | — | — | |
| SCHEMBL16028752 | 0.77 | ALDH1A1 (0.71) | — | |
| SCHEMBL1129707 | 0.77 | — | — |
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-1137737-A1 | LIQUID CRYSTAL COMPOUND | Rolic AG (CH) | 2001-10-04 | — | — | EP | disclosed |
| WO-2000031211-A1 | LIQUID CRYSTAL COMPOUND | ROLIC AG (CH) | 2000-06-02 | — | — | WO | disclosed |
| EP-0754685-A2 | Derivatives from alkoxyalkoxy substituted nitrogen containing hetero rings | Rolic AG (CH) | 1997-01-22 | — | — | EP | disclosed |