⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5840288 | 1.00 | — | — | |
| SCHEMBL4014096 | 1.00 | — | — | |
| SCHEMBL1189342 | 1.00 | — | — | |
| SCHEMBL20088936 | 0.82 | TSHR (0.35) | — | |
| SCHEMBL18160120 | 0.82 | TSHR (0.35) | — | |
| SCHEMBL20088929 | 0.82 | TSHR (0.35) | — | |
| SCHEMBL1784659 | 0.80 | PTPN1 (0.39) | — | |
| SCHEMBL5499760 | 0.80 | TSHR (0.33) | — | |
| SCHEMBL5494816 | 0.80 | TSHR (0.33) | — | |
| SCHEMBL13176735 | 0.80 | TSHR (0.33) | — |
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-5681978-A | Method for the stereocontrolled synthesis of stegobinone and useful borane intermediates | WASHINGTON STATE UNIVERSITY RESEARCH FOUNDATION (US) | 1997-10-28 | — | — | US | claimed |
| US-7541456-B2 | Enolization; dimerization; trimerization; for synthesis of sugar molecules | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2009-06-02 | — | — | US | disclosed |