⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1029275 | 0.74 | — | — | |
| SCHEMBL8880526 | 0.74 | — | — | |
| SCHEMBL5252757 | 0.72 | — | — | |
| SCHEMBL14314583 | 0.72 | — | — | |
| SCHEMBL8439750 | 0.71 | — | — | |
| SCHEMBL4078688 | 0.70 | — | — | |
| SCHEMBL16091202 | 0.70 | — | — | |
| SCHEMBL10375812 | 0.69 | — | — | |
| SCHEMBL6514667 | 0.69 | — | — | |
| SCHEMBL27337844 | 0.67 | — | — |
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-0591040-B1 | Quaternary basic amides as tachykinines antagonists | SANOFI SA (FR) | 1999-02-03 | — | — | EP | disclosed |
| US-5350852-A | Neurokinin A receptor antagonist | SANOFI (FR) | 1994-09-27 | — | — | US | disclosed |
| EP-0591040-A1 | Quaternary basic amides as tachykinines antagonists | SANOFI (FR) | 1994-04-06 | — | — | EP | disclosed |