⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19560661 | 0.82 | MEN1 (0.37) | — | |
| SCHEMBL31073447 | 0.80 | — | — | |
| SCHEMBL10596832 | 0.79 | CRBN (0.38) | — | |
| SCHEMBL14198318 | 0.77 | TSHR (0.39) | — | |
| SCHEMBL19560656 | 0.75 | ALDH1A1 (0.35) | — | |
| SCHEMBL19435717 | 0.75 | EP300 (0.48) | — | |
| SCHEMBL19435719 | 0.75 | EP300 (0.48) | — | |
| SCHEMBL20613538 | 0.73 | CRBN (0.33) | — | |
| SCHEMBL4939289 | 0.73 | — | — | |
| SCHEMBL25074244 | 0.72 | CA1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3596069-B1 | KAPPA OPIOID RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO | SCRIPPS RESEARCH INST (US) | 2022-07-13 | — | — | EP | disclosed |
| US-9827326-B2 | Polymer-sunitinib conjugates | NEKTAR THERAPEUTICS (US) | 2017-11-28 | — | — | US | disclosed |