⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL250546 | 1.00 | — | — | |
| SCHEMBL7444509 | 0.67 | — | — | |
| SCHEMBL8353163 | 0.67 | — | — | |
| SCHEMBL11003435 | 0.63 | — | — | |
| SCHEMBL11127624 | 0.63 | — | — | |
| SCHEMBL1499187 | 0.59 | — | — | |
| Ethylene SCHEMBL5620013 | 0.59 | — | — | |
| Ethylene SCHEMBL4579824 | 0.59 | — | — | |
| Ethylene SCHEMBL635893 | 0.59 | — | — | |
| SCHEMBL232975 | 0.59 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6664253-B2 | N-phenethyl-2-aryl-2-(4-(oxy-or amino-carbonylamino)piperidin-1-yl)acetamide derivatives | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2003-12-16 | — | — | US | claimed |
| US-20020115666-A1 | Neurokinin antagonists | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2002-08-22 | — | — | US | claimed |
| US-6664253-B2 | N-phenethyl-2-aryl-2-(4-(oxy-or amino-carbonylamino)piperidin-1-yl)acetamide derivatives | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2003-12-16 | — | — | US | disclosed |
| US-20020115666-A1 | Neurokinin antagonists | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2002-08-22 | — | — | US | disclosed |