⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20961244 | 0.80 | — | — | |
| SCHEMBL8661024 | 0.79 | ALDH1A1 (0.31) | — | |
| SCHEMBL25079074 | 0.75 | DRD2 (0.34) | — | |
| SCHEMBL26846595 | 0.74 | ALOX5AP (0.33) | — | |
| SCHEMBL28823601 | 0.73 | — | — | |
| SCHEMBL1477470 | 0.70 | — | — | |
| SCHEMBL8664966 | 0.67 | — | — | |
| SCHEMBL30252371 | 0.65 | ALDH1A1 (0.31) | — | |
| SCHEMBL25053991 | 0.65 | — | — | |
| SCHEMBL22028383 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2199270-B1 | LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE | JNC CORP (JP) | 2016-05-25 | — | — | EP | disclosed |
| EP-2212308-B1 | BENZO[F]CHROME AND PYRANO[3,2-F]CHROME DERIVATIVES FOR USE IN LIQUID CRYSTAL MEDIA | MERCK PATENT GMBH (DE) | 2013-05-22 | — | — | EP | disclosed |