⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1723858 | 0.74 | — | — | |
| SCHEMBL12895527 | 0.72 | — | — | |
| SCHEMBL27316115 | 0.67 | — | — | |
| Acetic Acid SCHEMBL10998790 | 0.67 | GRIK1 (0.34) | — | |
| Formic Acid SCHEMBL11002667 | 0.67 | — | — | |
| Bicarbonate SCHEMBL11002153 | 0.67 | GRIK1 (0.34) | — | |
| SCHEMBL14510003 | 0.66 | — | — | |
| Oxalic Acid SCHEMBL11002580 | 0.65 | GRIK1 (0.34) | — | |
| SCHEMBL17309690 | 0.65 | GRIK1 (0.34) | — | |
| SCHEMBL23182976 | 0.64 | TSHR (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018025872-A1 | LIQUID CRYSTAL DISPLAY ELEMENT EQUIPPED WITH LIQUID CRYSTAL PANEL HAVING CURVED SURFACE AND LIQUID CRYSTAL ALIGNING AGENT FOR SAME | 日産化学工業株式会社 | 2018-02-08 | — | — | WO | disclosed |