⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL247439 | 1.00 | — | — | |
| SCHEMBL247438 | 1.00 | — | — | |
| Bicarbonate SCHEMBL28992496 | 0.79 | TSHR (0.50) | — | |
| SCHEMBL9593302 | 0.78 | ALDH1A1 (0.39) | — | |
| SCHEMBL182648 | 0.78 | ALDH1A1 (0.39) | — | |
| SCHEMBL16181330 | 0.78 | ALDH1A1 (0.39) | — | |
| Potassium Ion SCHEMBL11438167 | 0.77 | — | — | |
| SCHEMBL1792692 | 0.77 | — | — | |
| SCHEMBL7781582 | 0.77 | — | — | |
| SCHEMBL1792693 | 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 2 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 |