⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7032304 | 0.76 | — | — | |
| SCHEMBL20625490 | 0.76 | — | — | |
| SCHEMBL8655922 | 0.71 | GAA (0.34) | — | |
| SCHEMBL15543518 | 0.67 | ATM (0.36) | — | |
| SCHEMBL3036052 | 0.64 | — | — | |
| SCHEMBL13283927 | 0.64 | — | — | |
| SCHEMBL14306613 | 0.61 | CHRNB2 (0.41) | — | |
| Methyl Alcohol SCHEMBL3958828 | 0.60 | MAPT (0.33) | — | |
| SCHEMBL17611919 | 0.59 | — | — | |
| SCHEMBL5213565 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1794196-A2 | HETEROCYCLE-AMINE LIGANDS, COMPOSITIONS, COMPLEXES, AND CATALYSTS, AND METHODS OF MAKING AND USING THE SAME | Symyx Technologies, Inc. (US) | 2007-06-13 | — | — | EP | disclosed |
| WO-2006036748-A2 | HETEROCYCLE-AMINE LIGANDS, COMPOSITIONS, COMPLEXES, AND CATALYSTS, AND METHODS OF MAKING AND USING THE SAME | SYMYX TECHNOLOGIES, INC. (US) | 2006-04-06 | — | — | WO | disclosed |