⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1877629 | 0.91 | KCNH2 (0.30) | — | |
| SCHEMBL1882850 | 0.81 | KDM4E (0.40) | — | |
| SCHEMBL1877861 | 0.81 | ALDH1A1 (0.39) | — | |
| SCHEMBL1887403 | 0.78 | KCNH2 (0.33) | — | |
| SCHEMBL1877269 | 0.78 | KCNH2 (0.35) | — | |
| SCHEMBL1877575 | 0.75 | HSD11B1 (0.49) | — | |
| SCHEMBL1883874 | 0.74 | HSD11B1 (0.39) | — | |
| SCHEMBL1875747 | 0.73 | HSD11B1 (0.43) | — | |
| SCHEMBL1882844 | 0.72 | MEN1 (0.42) | — | |
| SCHEMBL1878407 | 0.71 | HSD11B1 (0.33) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006108701-A1 | 3- (1,2,4-TRIAZOL-3YLALKYL) AZABRICLO (3.1.0) HEXANE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS | GLAXO GROUP LIMITED (GB) | 2006-10-19 | — | — | WO | disclosed |