⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2066808 | 1.00 | — | — | |
| Bicarbonate SCHEMBL9753304 | 0.90 | MAP3K7 (0.35) | — | |
| SCHEMBL22260762 | 0.81 | — | — | |
| SCHEMBL1682696 | 0.81 | — | — | |
| SCHEMBL13719310 | 0.72 | — | — | |
| SCHEMBL13719405 | 0.72 | — | — | |
| SCHEMBL7007768 | 0.69 | — | — | |
| SCHEMBL10446563 | 0.69 | ALDH1A1 (0.36) | — | |
| SCHEMBL24996984 | 0.67 | GBA1 (0.46) | — | |
| SCHEMBL13811273 | 0.67 | — | — |
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-8273926-B2 | Method of converting a polyol to an olefin | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2012-09-25 | — | — | US | disclosed |
| US-20090287004-A1 | Method of Converting a Polyol to an Olefin | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2009-11-19 | — | — | US | disclosed |