⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL627751 | 0.77 | — | — | |
| SCHEMBL5071930 | 0.75 | CA1 (0.31) | — | |
| SCHEMBL23640934 | 0.75 | — | — | |
| SCHEMBL27337990 | 0.74 | — | — | |
| Bromide SCHEMBL3772975 | 0.73 | CA1 (0.30) | — | |
| Water SCHEMBL7545608 | 0.73 | CA1 (0.30) | — | |
| SCHEMBL11806750 | 0.71 | CA2 (0.41) | — | |
| SCHEMBL28457951 | 0.71 | DPP4 (0.40) | — | |
| SCHEMBL27532236 | 0.71 | ALDH1A1 (0.46) | — | |
| SCHEMBL6942427 | 0.68 | TSHR (0.40) | — |
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-20210214299-A1 | POLYMERIZABLE COMPOUND, AND LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME | DIC CORPORATION (JP) | 2021-07-15 | — | — | US | disclosed |