⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21872964 | 0.94 | FKBP5 (0.43) | — | |
| Bromide SCHEMBL30513986 | 0.89 | FKBP5 (0.40) | — | |
| SCHEMBL5056719 | 0.88 | OR51E2 (0.39) | — | |
| SCHEMBL11720970 | 0.84 | CRBN (0.50) | — | |
| SCHEMBL8197272 | 0.83 | FKBP5 (0.36) | — | |
| SCHEMBL7072199 | 0.82 | — | — | |
| SCHEMBL20100268 | 0.82 | — | — | |
| SCHEMBL22908207 | 0.75 | — | — | |
| SCHEMBL8866832 | 0.74 | OR51E2 (0.47) | — | |
| SCHEMBL23588011 | 0.72 | FKBP5 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009108766-A1 | GAMMA SECRETASE MODULATORS FOR THE TREATMENT OF ALZHEIMER ' S DISEASE | SCHERING CORPORATION (US) | 2009-09-03 | — | — | WO | disclosed |
| EP-1775295-A1 | Vanilloid receptor ligands and their use in treatments | Amgen Inc. (US) | 2007-04-18 | — | — | EP | disclosed |