⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3463246 | 0.78 | ROCK2 (0.30) | — | |
| SCHEMBL19095125 | 0.73 | — | — | |
| SCHEMBL5502119 | 0.71 | CHRNB2 (0.53) | — | |
| SCHEMBL1836309 | 0.70 | SLC18A3 (0.44) | — | |
| Hydrochloric Acid SCHEMBL31114302 | 0.70 | OPRM1 (0.30) | — | |
| SCHEMBL5512547 | 0.69 | RIPK2 (0.31) | — | |
| SCHEMBL5504550 | 0.69 | NISCH (0.34) | — | |
| SCHEMBL27283154 | 0.68 | HTR3A (0.41) | — | |
| SCHEMBL3463737 | 0.68 | CHRNA1 (0.37) | — | |
| SCHEMBL3463532 | 0.67 | NPY5R (0.30) | — |
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-1802601-A1 | AZASPIROALKENE AND AZAPIROALKANE COMPOUNDS WITH NICOTINIC CHOLINERGIC RECEPTOR ACTIVITY | Targacept, Inc. (US) | 2007-07-04 | — | — | EP | claimed |
| WO-2006034089-A1 | AZASPIROALKENE AND AZASPIROALKANE COMPOUNDS WITH NICOTINIC CHOLINERGIC RECEPTOR ACTIVITY | TARGACEPT, INC. (US) | 2006-03-30 | — | — | WO | claimed |