⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11939773 | 0.97 | ADRA2A (0.31) | — | |
| SCHEMBL11939042 | 0.97 | ADRA2A (0.31) | — | |
| SCHEMBL10303051 | 0.93 | ADRA2A (0.33) | — | |
| SCHEMBL12222839 | 0.93 | ADRA2A (0.33) | — | |
| SCHEMBL12224582 | 0.90 | ADRA2A (0.34) | — | |
| SCHEMBL12223289 | 0.89 | ADRA2A (0.35) | — | |
| SCHEMBL12224502 | 0.89 | CTSL (0.30) | — | |
| SCHEMBL12223565 | 0.88 | ADRA2A (0.35) | — | |
| SCHEMBL11938890 | 0.86 | ADRA2A (0.36) | — | |
| SCHEMBL11939001 | 0.86 | ADRA2A (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20110240919-A1 | FIVE-RING COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | CHISSO CORPORATION (JP) | 2011-10-06 | — | — | US | disclosed |