⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1150258 | 1.00 | — | — | |
| SCHEMBL399751 | 1.00 | — | — | |
| SCHEMBL973275 | 1.00 | — | — | |
| SCHEMBL9353571 | 0.76 | — | — | |
| SCHEMBL1107781 | 0.68 | — | — | |
| SCHEMBL10525 | 0.68 | — | — | |
| SCHEMBL18813445 | 0.68 | — | — | |
| SCHEMBL5945097 | 0.68 | — | — | |
| SCHEMBL12230290 | 0.68 | — | — | |
| SCHEMBL12035578 | 0.68 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1495022-B1 | DIAZABICYCLO ALKANE DERIVATIVES WITH NK1 ANTAGONISTIC ACTIVITY | SOLVAY PHARM BV (NL) | 2009-07-08 | — | — | EP | disclosed |
| US-7202238-B2 | Diazabicyclo alkane derivatives with NK1 antagonistic activity | SOLVAY PHARMACEUTICALS B.V. (NL) | 2007-04-10 | — | — | US | disclosed |
| US-20050119267-A1 | Diazabicyclo alkane derivatives with nk1 antagonistic activity | SOLVAY PHARMACEUTICALS B.V. (NL) | 2005-06-02 | — | — | US | disclosed |