⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4798668 | 1.00 | — | — | |
| SCHEMBL4798657 | 1.00 | — | — | |
| SCHEMBL307206 | 0.82 | — | — | |
| SCHEMBL4359650 | 0.82 | CES2 (0.43) | — | |
| SCHEMBL1437686 | 0.79 | — | — | |
| SCHEMBL28833365 | 0.72 | CES2 (0.35) | — | |
| SCHEMBL5281 | 0.69 | — | — | |
| SCHEMBL5131 | 0.69 | CES2 (0.47) | — | |
| SCHEMBL5411 | 0.69 | CES2 (0.47) | — | |
| SCHEMBL1858120 | 0.69 | CES2 (0.47) | — |
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-20080086013-A1 | CARBOMETALLATION OF ALKYNES AND IMPROVED SYNTHESIS OF UNIQUINONES | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2008-04-10 | — | — | US | disclosed |
| WO-2008019196-A2 | CARBOMETALLATION OF ALKYNES AND IMPROVED SYNTHSIS OF UBIQUINONES | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2008-02-14 | — | — | WO | disclosed |