⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27754642 | 0.87 | HPGD (0.53) | — | |
| SCHEMBL23829760 | 0.82 | HPGD (0.32) | — | |
| SCHEMBL7401679 | 0.77 | HPGD (0.41) | — | |
| SCHEMBL8920891 | 0.74 | KDM5A (0.47) | — | |
| SCHEMBL672141 | 0.74 | KDM5A (0.47) | — | |
| SCHEMBL301024 | 0.74 | — | — | |
| SCHEMBL8555451 | 0.74 | — | — | |
| SCHEMBL4438928 | 0.74 | — | — | |
| Bromide SCHEMBL15821114 | 0.72 | KDM5A (0.46) | — | |
| Hydrochloric Acid SCHEMBL8026839 | 0.72 | — | — |
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-1585729-A1 | 2-PIPERIDONE DERIVATIVES AS PROSTAGLANDIN AGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2005-10-19 | — | — | EP | disclosed |
| WO-2004063158-A1 | 2-PIPERIDONE DERIVATIVES AS PROSTAGLANDIN AGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2004-07-29 | — | — | WO | disclosed |