⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11939280 | 0.92 | OPRM1 (0.31) | — | |
| SCHEMBL11939973 | 0.83 | PTGDR2 (0.32) | — | |
| SCHEMBL11939291 | 0.83 | PTGDR2 (0.32) | — | |
| SCHEMBL11939038 | 0.83 | — | — | |
| SCHEMBL11939348 | 0.81 | — | — | |
| SCHEMBL11933588 | 0.80 | SCN9A (0.31) | — | |
| SCHEMBL11938926 | 0.79 | — | — | |
| SCHEMBL11938901 | 0.79 | — | — | |
| SCHEMBL11939911 | 0.78 | CNR2 (0.32) | — | |
| SCHEMBL12223951 | 0.77 | — | — |
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-20120168677-A1 | LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC PETROCHEMICAL CORPORATION (JP) | 2012-07-05 | — | — | US | disclosed |