⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6366809 | 0.72 | — | — | |
| SCHEMBL6009993 | 0.71 | — | — | |
| SCHEMBL6009052 | 0.71 | — | — | |
| SCHEMBL782960 | 0.70 | ATR (0.32) | — | |
| Hydrochloric Acid SCHEMBL28133244 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL5504925 | 0.70 | KDM4E (0.31) | — | |
| SCHEMBL6009077 | 0.69 | CNR2 (0.32) | — | |
| SCHEMBL5501993 | 0.69 | CNR2 (0.32) | — | |
| SCHEMBL6009968 | 0.69 | PDK1 (0.38) | — | |
| SCHEMBL2754981 | 0.69 | CES1 (0.31) | — |
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-1828111-A2 | METHODS AND FLUORINATED COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES | Neurochem (International) Limited (CH) | 2007-09-05 | — | — | EP | disclosed |
| WO-2006059252-A2 | METHODS AND FLUORINATED COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES | NEUROCHEM (INTERNATIONAL) LIMITED (CH) | 2006-06-08 | — | — | WO | disclosed |