⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3908708 | 1.00 | — | — | |
| SCHEMBL3908704 | 1.00 | — | — | |
| SCHEMBL7776298 | 0.93 | FABP3 (0.53) | — | |
| SCHEMBL7776291 | 0.93 | FABP3 (0.53) | — | |
| SCHEMBL501978 | 0.93 | FABP3 (0.53) | — | |
| SCHEMBL4200339 | 0.91 | FABP3 (0.57) | — | |
| SCHEMBL502000 | 0.91 | FABP3 (0.57) | — | |
| SCHEMBL501714 | 0.91 | FABP3 (0.57) | — | |
| SCHEMBL6424763 | 0.91 | FABP3 (0.57) | — | |
| SCHEMBL5066940 | 0.91 | FABP3 (0.57) | — |
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 |