⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14364783 | 0.82 | — | — | |
| SCHEMBL1439871 | 0.82 | — | — | |
| SCHEMBL13300115 | 0.82 | — | — | |
| SCHEMBL13118397 | 0.82 | — | — | |
| SCHEMBL9924687 | 0.82 | TFPI2 (0.32) | — | |
| SCHEMBL14510049 | 0.79 | TFPI2 (0.33) | — | |
| SCHEMBL15813209 | 0.79 | TFPI2 (0.33) | — | |
| SCHEMBL13784893 | 0.79 | TFPI2 (0.33) | — | |
| SCHEMBL15980921 | 0.79 | TFPI2 (0.33) | — | |
| SCHEMBL658709 | 0.79 | TFPI2 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2977428-B1 | POLYMERIZABLE COMPOUND-CONTAINING LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME | DAINIPPON INK & CHEMICALS (JP) | 2018-05-02 | — | — | EP | disclosed |