⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4189933 | 0.77 | — | — | |
| Bicarbonate SCHEMBL9752366 | 0.76 | — | — | |
| SCHEMBL6053251 | 0.70 | DGKA (0.42) | — | |
| SCHEMBL2007248 | 0.70 | CES1 (0.38) | — | |
| SCHEMBL2007250 | 0.70 | CES1 (0.38) | — | |
| SCHEMBL9143508 | 0.68 | DGKA (0.37) | — | |
| SCHEMBL11559369 | 0.66 | — | — | |
| SCHEMBL30456922 | 0.66 | ALDH1A1 (0.40) | — | |
| SCHEMBL9842683 | 0.66 | TSHR (0.32) | — | |
| SCHEMBL8506332 | 0.65 | TSHR (0.35) | — |
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-1991000301-A1 | (CO)POLYMER MODIFICATION EMPLOYING UNSATURATED t-ALKYL PEROXYALKENYL CARBONATES | AKZO N.V. (NL) | 1991-01-10 | — | — | WO | claimed |