⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16803179 | 0.81 | — | — | |
| SCHEMBL16855485 | 0.80 | — | — | |
| SCHEMBL19500909 | 0.74 | — | — | |
| SCHEMBL16588481 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL15062152 | 0.66 | ALDH1A1 (0.37) | — | |
| SCHEMBL16588508 | 0.66 | — | — | |
| SCHEMBL12351464 | 0.65 | — | — | |
| SCHEMBL12698777 | 0.64 | — | — | |
| SCHEMBL15810577 | 0.64 | — | — | |
| SCHEMBL16588487 | 0.64 | — | — |
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-3112440-A1 | LIQUID-CRYSTAL MEDIUM | Merck Patent GmbH (DE) | 2017-01-04 | — | — | EP | disclosed |