⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13673183 | 0.93 | — | — | |
| SCHEMBL12643548 | 0.93 | — | — | |
| SCHEMBL5968238 | 0.93 | — | — | |
| SCHEMBL5968265 | 0.93 | — | — | |
| SCHEMBL12513419 | 0.91 | — | — | |
| SCHEMBL13465006 | 0.86 | — | — | |
| SCHEMBL9979738 | 0.84 | — | — | |
| SCHEMBL15292022 | 0.84 | ALDH1A1 (0.31) | — | |
| SCHEMBL22842154 | 0.84 | ALDH1A1 (0.31) | — | |
| SCHEMBL13176417 | 0.84 | ALDH1A1 (0.31) | — |
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-2986689-B1 | DEVICE CONTAINING A LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2017-04-19 | — | — | EP | disclosed |