⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9544955 | 0.68 | — | — | |
| SCHEMBL21716165 | 0.67 | NR1H4 (0.34) | — | |
| SCHEMBL5639498 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL27455007 | 0.65 | CA2 (0.38) | — | |
| SCHEMBL29098391 | 0.65 | CA2 (0.38) | — | |
| SCHEMBL22556307 | 0.64 | CA2 (0.33) | — | |
| SCHEMBL21716000 | 0.63 | EPHX2 (0.37) | — | |
| SCHEMBL11203255 | 0.63 | — | — | |
| SCHEMBL9527909 | 0.63 | — | — | |
| SCHEMBL21373895 | 0.61 | — | — |
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-2020031836-A1 | POLYMERIZABLE IONIC LIQUID, POLYMER, CURABLE COMPOSITION, ELECTROCHEMICAL ELEMENT MATERIAL, AND ANTISTATIC MATERIAL | セントラル硝子株式会社 | 2020-02-13 | — | — | WO | disclosed |