⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12539703 | 1.00 | — | — | |
| SCHEMBL8177937 | 1.00 | — | — | |
| SCHEMBL12628877 | 1.00 | — | — | |
| SCHEMBL20350328 | 1.00 | — | — | |
| SCHEMBL12628892 | 1.00 | — | — | |
| SCHEMBL358782 | 1.00 | — | — | |
| SCHEMBL25455938 | 1.00 | — | — | |
| SCHEMBL3436863 | 1.00 | — | — | |
| SCHEMBL20692777 | 0.78 | — | — | |
| SCHEMBL20692849 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2190815-B1 | PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2011-08-10 | — | — | EP | disclosed |
| US-7812021-B2 | Pyrrolidine aryl-ether as NK3 receptor antagonists | HOFFMANN-LA ROCHE INC. (US) | 2010-10-12 | — | — | US | disclosed |
| US-20090054644-A1 | PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS | HOFFMANN-LA ROCHE, INC. | 2009-02-26 | — | — | US | disclosed |
| WO-2009024502-A1 | PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-02-26 | — | — | WO | disclosed |