⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL216168 | 0.72 | — | — | |
| SCHEMBL270228 | 0.69 | — | — | |
| SCHEMBL949529 | 0.69 | — | — | |
| SCHEMBL5950458 | 0.69 | — | — | |
| SCHEMBL27532821 | 0.65 | — | — | |
| 2,2,3-Trimethylbutane SCHEMBL122284 | 0.61 | — | — | |
| 2,2,3-Trimethylbutane SCHEMBL4481319 | 0.61 | ALDH1A1 (0.44) | — | |
| SCHEMBL598984 | 0.61 | ALDH1A1 (0.44) | — | |
| Lithium Ion SCHEMBL2113666 | 0.61 | — | — | |
| Lithium Ion SCHEMBL27674136 | 0.58 | — | — |
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-20130053566-A1 | CATIONIC PALLADIUM COMPLEXES COMPRISING DIAMINO CARBENE LIGANDS AND THEIR USE IN CATALYSIS | KANATA CHEMICAL TECHNOLOGIES INC. (CA) | 2013-02-28 | — | — | US | disclosed |
| WO-2011127579-A1 | CATIONIC PALLADIUM COMPLEXES COMPRISING DIAMINO CARBENE LIGANDS AND THEIR USE IN CATALYSIS | KANATA CHEMICAL TECHNOLOGIES INC. (CA) | 2011-10-20 | — | — | WO | disclosed |