⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7990640 | 0.80 | — | — | |
| SCHEMBL892063 | 0.79 | TSHR (0.36) | — | |
| SCHEMBL2836895 | 0.73 | TSHR (0.32) | — | |
| SCHEMBL7996208 | 0.73 | TSHR (0.30) | — | |
| SCHEMBL14956561 | 0.69 | — | — | |
| Ethylene Glycol SCHEMBL11274844 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL15672664 | 0.68 | MAPT (0.34) | — | |
| SCHEMBL466704 | 0.68 | — | — | |
| SCHEMBL2928722 | 0.68 | — | — | |
| SCHEMBL2921901 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6307067-B1 | Palladium and boron co-catalyzed addition of oxygen nucleophiles to vinyl epoxides | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY | 2001-10-23 | — | — | US | disclosed |