⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18045082 | 0.78 | CA5A (0.31) | — | |
| SCHEMBL8410257 | 0.77 | — | — | |
| SCHEMBL2582066 | 0.73 | — | — | |
| SCHEMBL953966 | 0.73 | — | — | |
| SCHEMBL7608901 | 0.72 | — | — | |
| SCHEMBL1971341 | 0.71 | — | — | |
| SCHEMBL5610693 | 0.71 | — | — | |
| SCHEMBL6725026 | 0.71 | — | — | |
| SCHEMBL14974666 | 0.69 | CA5A (0.36) | — | |
| SCHEMBL3310300 | 0.69 | — | — |
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-1297826-A1 | Nasal pharmaceutical compositions containing a NK-2 antagonist | Menarini Ricerche S.p.A. (IT) | 2003-04-02 | — | — | EP | claimed |
| EP-1297826-A1 | Nasal pharmaceutical compositions containing a NK-2 antagonist | Menarini Ricerche S.p.A. (IT) | 2003-04-02 | — | — | EP | disclosed |