⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1854984 | 0.75 | HTR2C (0.37) | — | |
| SCHEMBL8689190 | 0.62 | ALDH1A1 (0.40) | — | |
| SCHEMBL12496864 | 0.60 | PIK3CD (0.34) | — | |
| SCHEMBL2915558 | 0.60 | — | — | |
| SCHEMBL2736475 | 0.60 | USP2 (0.33) | — | |
| SCHEMBL4689815 | 0.59 | CA2 (0.48) | — | |
| SCHEMBL6681339 | 0.59 | — | — | |
| SCHEMBL25359785 | 0.57 | CA1 (0.59) | — | |
| SCHEMBL257424 | 0.56 | — | — | |
| SCHEMBL927493 | 0.56 | ALDH1A1 (0.45) | — |
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-2044057-A2 | DERIVATIVES OF UREAS OF PIPERIDINE OR PYRROLIDINE, THEIR PREPARATION AND THEIR THERAPEUTICAL USE | Sanofi-Aventis (FR) | 2009-04-08 | — | — | EP | disclosed |
| WO-2008000950-A2 | DERIVATIVES OF UREAS OF PIPERIDINE OR PYRROLIDINE, THEIR PREPARATION AND THEIR THERAPEUTICAL USE | SANOFI-AVENTIS (FR) | 2008-01-03 | — | — | WO | disclosed |