⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3632076 | 0.86 | HSD17B2 (0.33) | — | |
| SCHEMBL2229896 | 0.85 | KDM4E (0.37) | — | |
| SCHEMBL1460886 | 0.81 | CYP2A6 (0.35) | — | |
| SCHEMBL234550 | 0.77 | CYP3A4 (0.42) | — | |
| SCHEMBL356683 | 0.77 | CYP3A4 (0.42) | — | |
| SCHEMBL16180769 | 0.75 | CYP3A4 (0.41) | — | |
| SCHEMBL4619337 | 0.75 | CYP3A4 (0.41) | — | |
| SCHEMBL1443600 | 0.74 | CYP2A6 (0.35) | — | |
| SCHEMBL3621313 | 0.74 | CYP1A2 (0.32) | — | |
| SCHEMBL1987093 | 0.69 | GABRA1 (0.39) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2482978-A1 | HETEROGENEOUS RHODIUM METAL CATALYSTS | The Governors Of The University Of Alberta (CA) | 2012-08-08 | — | — | EP | claimed |
| WO-2011035445-A1 | HETEROGENEOUS RHODIUM METAL CATALYSTS | THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) | 2011-03-31 | — | — | WO | claimed |
| EP-2215101-A1 | CATIONIC TRANSITION METAL CATALYSTS | Kanata Chemical Technologies Inc. (CA) | 2010-08-11 | — | — | EP | claimed |
| WO-2009055912-A1 | CATIONIC TRANSITION METAL CATALYSTS | KANATA CHEMICAL TECHNOLOGIES INC. (CA) | 2009-05-07 | — | — | WO | claimed |