⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25834253 | 0.97 | CA2 (0.30) | — | |
| SCHEMBL17418918 | 0.95 | CA2 (0.33) | — | |
| Bromide SCHEMBL30869351 | 0.92 | CA2 (0.32) | — | |
| Iodide SCHEMBL30869347 | 0.92 | CA2 (0.32) | — | |
| Hydrochloric Acid SCHEMBL30869323 | 0.92 | CA2 (0.32) | — | |
| SCHEMBL18788845 | 0.92 | CA2 (0.34) | — | |
| SCHEMBL12583479 | 0.91 | HTT (0.32) | — | |
| Hydrochloric Acid SCHEMBL18788833 | 0.89 | CA2 (0.33) | — | |
| SCHEMBL17354790 | 0.88 | — | — | |
| Iodide SCHEMBL30869327 | 0.88 | HTT (0.30) | — |
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-20230218523-A1 | Ionic Liquid-Based Nanoemulsion Formulation for the Efficient Delivery of Hydrophilic and Hydrophobic Therapeutic Agents | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2023-07-13 | — | — | US | disclosed |