⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22402987 | 0.83 | — | — | |
| SCHEMBL21293463 | 0.68 | — | — | |
| SCHEMBL22606906 | 0.64 | MCHR1 (0.33) | — | |
| SCHEMBL4609517 | 0.63 | GBA1 (0.50) | — | |
| SCHEMBL21293353 | 0.62 | AOC2 (0.31) | — | |
| SCHEMBL27439538 | 0.62 | GBA1 (0.48) | — | |
| SCHEMBL251527 | 0.61 | — | — | |
| SCHEMBL24296223 | 0.61 | ALDH1A1 (0.39) | — | |
| SCHEMBL16673433 | 0.60 | — | — | |
| SCHEMBL27720545 | 0.60 | L3MBTL1 (0.35) | — |
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-0858444-A4 | CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 1999-12-01 | — | — | EP | disclosed |
| EP-0858444-A1 | CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 1998-08-19 | — | — | EP | disclosed |
| WO-1997014671-A1 | CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1997-04-24 | — | — | WO | disclosed |