⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26802905 | 0.88 | — | — | |
| SCHEMBL14035162 | 0.87 | — | — | |
| SCHEMBL12433811 | 0.86 | CYP1A2 (0.30) | — | |
| SCHEMBL26209407 | 0.83 | SLC6A2 (0.32) | — | |
| SCHEMBL12433674 | 0.78 | OPRL1 (0.35) | — | |
| SCHEMBL12433803 | 0.77 | LMNA (0.30) | — | |
| SCHEMBL2207937 | 0.77 | LMNA (0.30) | — | |
| SCHEMBL13028652 | 0.76 | TLR4 (0.30) | — | |
| SCHEMBL13026643 | 0.76 | TLR4 (0.30) | — | |
| SCHEMBL12433813 | 0.76 | LMNA (0.30) | — |
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-3075816-B1 | LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC CORP (JP) | 2018-05-23 | — | — | EP | disclosed |