⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16844783 | 0.94 | ALDH1A1 (0.31) | — | |
| SCHEMBL16844762 | 0.93 | — | — | |
| SCHEMBL16844765 | 0.93 | PPP5C (0.32) | — | |
| SCHEMBL15062130 | 0.91 | — | — | |
| SCHEMBL16844697 | 0.91 | GBA1 (0.37) | — | |
| SCHEMBL16844698 | 0.89 | GBA1 (0.40) | — | |
| SCHEMBL20998319 | 0.88 | GBA1 (0.33) | — | |
| SCHEMBL16844764 | 0.87 | — | — | |
| SCHEMBL20998296 | 0.85 | — | — | |
| SCHEMBL20998210 | 0.85 | — | — |
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-2886627-B1 | Liquid crystalline medium | MERCK PATENT GMBH (DE) | 2019-05-15 | — | — | EP | disclosed |
| EP-2886627-A1 | Liquid crystalline medium | Merck Patent GmbH (DE) | 2015-06-24 | — | — | EP | disclosed |