⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL50679 | 0.97 | MAPT (0.50) | — | |
| SCHEMBL50664 | 0.97 | MAPT (0.50) | — | |
| SCHEMBL601218 | 0.92 | — | — | |
| SCHEMBL3797396 | 0.83 | MAPT (0.48) | — | |
| SCHEMBL24926247 | 0.80 | MAPT (0.52) | — | |
| SCHEMBL19853017 | 0.80 | MAPT (0.52) | — | |
| SCHEMBL8173118 | 0.80 | MAPT (0.52) | — | |
| SCHEMBL19026469 | 0.80 | MAPT (0.52) | — | |
| SCHEMBL1617182 | 0.80 | — | — | |
| SCHEMBL10608053 | 0.80 | MAPT (0.52) | — |
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-0515972-A1 | Polymerizable liquid crystal materials and polymer compositions displaying ferroelectric smectic liquid crystal phases | MERCK PATENT GmbH (DE) | 1992-12-02 | — | — | EP | disclosed |