⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19937441 | 0.90 | — | — | |
| SCHEMBL13505119 | 0.87 | — | — | |
| SCHEMBL12075662 | 0.85 | — | — | |
| SCHEMBL9921148 | 0.85 | — | — | |
| SCHEMBL15704428 | 0.79 | — | — | |
| SCHEMBL15906310 | 0.78 | — | — | |
| SCHEMBL13671483 | 0.76 | — | — | |
| SCHEMBL18087354 | 0.74 | MAPT (0.36) | — | |
| SCHEMBL18435860 | 0.72 | — | — | |
| SCHEMBL18468413 | 0.72 | — | — |
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-3048159-A1 | LIQUID CRYSTAL MEDIUM | Merck Patent GmbH (DE) | 2016-07-27 | — | — | EP | disclosed |