⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3622179 | 0.84 | ALDH1A1 (0.45) | — | |
| SCHEMBL2824852 | 0.84 | ALDH1A1 (0.53) | — | |
| SCHEMBL10391863 | 0.81 | CAMK2A (0.48) | — | |
| SCHEMBL7193524 | 0.79 | GPR84 (0.54) | — | |
| SCHEMBL28222013 | 0.79 | GPR84 (0.54) | — | |
| SCHEMBL27288513 | 0.79 | LMNA (0.42) | — | |
| SCHEMBL27565352 | 0.79 | TSHR (0.48) | — | |
| SCHEMBL12752041 | 0.78 | — | — | |
| SCHEMBL23534212 | 0.77 | LMNA (0.45) | — | |
| SCHEMBL11504537 | 0.77 | LMNA (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 |
|---|---|---|---|---|---|---|---|
| EP-2440525-A1 | (S) -2-BENZYL-3- ( (3R, 4R) -4- (3 -CARBAMO YLPHENYL) -3, 4-DIMETHYLPIPERIDINYL) PROPANOIC ACID AND SALT THEROF AS ANTAGONISTS OF THE OPIOID RECEPTORS | Adolor Corporation (US) | 2012-04-18 | — | — | EP | disclosed |
| WO-2010144446-A1 | (S) -2-BENZYL-3- ( (3R, 4R) -4- (3 -CARBAMO YLPHENYL) -3, 4-DIMETHYLPIPERIDINYL) PROPANOIC ACID AND SALT THEROF AS ANTAGONISTS OF THE OPIOID RECEPTORS | ADOLOR CORPORATION (US) | 2010-12-16 | — | — | WO | disclosed |