⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13504970 | 0.93 | GBA1 (0.35) | — | |
| SCHEMBL17354980 | 0.92 | — | — | |
| SCHEMBL24042290 | 0.89 | — | — | |
| SCHEMBL17355015 | 0.88 | — | — | |
| SCHEMBL17355006 | 0.87 | GBA1 (0.32) | — | |
| SCHEMBL20664287 | 0.86 | — | — | |
| SCHEMBL20998319 | 0.85 | GBA1 (0.33) | — | |
| SCHEMBL17620775 | 0.84 | — | — | |
| SCHEMBL16844688 | 0.84 | PPP5C (0.31) | — | |
| SCHEMBL17355011 | 0.83 | — | — |
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-2607451-B1 | Liquid crystalline medium | MERCK PATENT GMBH (DE) | 2019-01-23 | — | — | EP | disclosed |