⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18137124 | 1.00 | — | — | |
| SCHEMBL18137086 | 0.92 | — | — | |
| SCHEMBL18137120 | 0.86 | — | — | |
| SCHEMBL20105018 | 0.84 | DRD2 (0.37) | — | |
| SCHEMBL18137132 | 0.83 | — | — | |
| SCHEMBL14228617 | 0.83 | ALDH1A1 (0.31) | — | |
| SCHEMBL14525548 | 0.82 | ALDH1A1 (0.36) | — | |
| SCHEMBL7619012 | 0.81 | TLR4 (0.36) | — | |
| SCHEMBL14525797 | 0.81 | TLR4 (0.36) | — | |
| SCHEMBL14525735 | 0.81 | TLR4 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2743331-B1 | LIQUID CRYSTAL COMPOSITION CONTAINING POLYMERIZABLE COMPOUND AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME | DAINIPPON INK & CHEMICALS (JP) | 2019-09-11 | — | — | EP | disclosed |
| US-20160298035-A1 | COMPOSITE LIQUID CRYSTAL COMPOSITION, DISPLAY ELEMENT AND ELECTRIC FIELD DETECTOR | DIC CORPORATION (JP) | 2016-10-13 | — | — | US | disclosed |