⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23338260 | 0.78 | — | — | |
| SCHEMBL23332020 | 0.77 | IDO1 (0.33) | — | |
| SCHEMBL23332376 | 0.77 | — | — | |
| SCHEMBL24942194 | 0.74 | — | — | |
| SCHEMBL3292856 | 0.73 | CDC25A (0.33) | — | |
| SCHEMBL24924990 | 0.72 | CDC25A (0.36) | — | |
| SCHEMBL24925071 | 0.72 | IDO1 (0.31) | — | |
| SCHEMBL15268000 | 0.71 | CDC25A (0.40) | — | |
| SCHEMBL304729 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL1164743 | 0.71 | CDC25A (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230028516-A1 | PRODRUGS OF ITACONATE AND METHYL ITACONATE | INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY AS CR V.V.I. (CZ) | 2023-01-26 | — | — | US | disclosed |
| US-20230025922-A1 | USE OF ITACONATE AND ITS DERIVATIVES/ANALOGUES TO INDUCE HAIR GROWTH | THE JOHNS HOPKINS UNIVERSTY | 2023-01-26 | — | — | US | disclosed |