⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19403915 | 1.00 | — | — | |
| SCHEMBL3806452 | 1.00 | — | — | |
| SCHEMBL109549 | 0.78 | TSHR (0.33) | — | |
| SCHEMBL109550 | 0.78 | TSHR (0.33) | — | |
| SCHEMBL17764763 | 0.78 | TSHR (0.33) | — | |
| SCHEMBL13679644 | 0.78 | — | — | |
| SCHEMBL23656178 | 0.77 | — | — | |
| SCHEMBL2875434 | 0.75 | — | — | |
| SCHEMBL22197388 | 0.75 | — | — | |
| SCHEMBL19380626 | 0.75 | — | — |
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-2351741-B1 | PENTACYCLIC LIQUID CRYSTAL COMPOUND HAVING NITROGEN-CONTAINING HETEROCYCLIC RING, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE | JNC CORP (JP) | 2016-11-30 | — | — | EP | disclosed |