⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9017248 | 0.79 | — | — | |
| SCHEMBL7563376 | 0.79 | — | — | |
| SCHEMBL16139952 | 0.77 | CES2 (0.39) | — | |
| SCHEMBL13698699 | 0.77 | — | — | |
| SCHEMBL7560874 | 0.75 | KMT2A (0.35) | — | |
| SCHEMBL11883055 | 0.75 | — | — | |
| SCHEMBL22305517 | 0.74 | — | — | |
| SCHEMBL23776864 | 0.73 | FAAH (0.40) | — | |
| SCHEMBL16786181 | 0.73 | TSHR (0.39) | — | |
| SCHEMBL16663581 | 0.73 | ALDH1A1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9441161-B2 | Liquid crystal compound, liquid crystal composition and liquid crystal display device | JNC CORPORATION (JP) | 2016-09-13 | — | — | US | disclosed |
| US-20160032187-A1 | LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC PETROCHEMICAL CORPORATION (JP) | 2016-02-04 | — | — | US | disclosed |