⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL458376 | 1.00 | — | — | |
| SCHEMBL12156 | 0.85 | — | — | |
| SCHEMBL33318 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL2862643 | 0.78 | ALDH1A1 (0.92) | — | |
| Bromide SCHEMBL22747715 | 0.78 | ALDH1A1 (0.92) | — | |
| Fluoride SCHEMBL29374673 | 0.78 | ALDH1A1 (0.92) | — | |
| SCHEMBL178488 | 0.78 | — | — | |
| SCHEMBL21611339 | 0.78 | ALDH1A1 (0.92) | — | |
| SCHEMBL1100115 | 0.78 | — | — | |
| Iodide SCHEMBL29022389 | 0.78 | ALDH1A1 (0.92) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023069708-A1 | COMPOUNDS THAT MEDIATE PROTEIN DEGRADATION AND USES THEREOF | MONTE ROSA THERAPEUTICS, INC. (US) | 2023-04-27 | — | — | WO | disclosed |
| EP-4090661-A1 | QUINOXALINE DERIVATIVES AS MODULATORS OF THE GLUCOCORTICOID RECEPTOR | Grünenthal GmbH (DE) | 2022-11-23 | — | — | EP | disclosed |