⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5506753 | 0.73 | CHRNB2 (0.38) | — | |
| SCHEMBL5504443 | 0.70 | CHRNB2 (0.37) | — | |
| SCHEMBL3463413 | 0.64 | CHRNB2 (0.30) | — | |
| SCHEMBL3463968 | 0.60 | HDAC4 (0.34) | — | |
| SCHEMBL12533786 | 0.60 | CYP2A6 (0.33) | — | |
| SCHEMBL12533784 | 0.60 | CYP2A6 (0.33) | — | |
| SCHEMBL12533785 | 0.60 | CYP2A6 (0.33) | — | |
| SCHEMBL7895339 | 0.60 | CHRNB2 (0.39) | — | |
| Hydrochloric Acid SCHEMBL3001216 | 0.58 | CHRNB2 (0.38) | — | |
| Hydrochloric Acid SCHEMBL3716821 | 0.58 | CHRNB2 (0.38) | — |
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 4 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 |
| EP-1802601-A1 | AZASPIROALKENE AND AZAPIROALKANE COMPOUNDS WITH NICOTINIC CHOLINERGIC RECEPTOR ACTIVITY | Targacept, Inc. (US) | 2007-07-04 | — | — | EP | disclosed |
| WO-2006034089-A1 | AZASPIROALKENE AND AZASPIROALKANE COMPOUNDS WITH NICOTINIC CHOLINERGIC RECEPTOR ACTIVITY | TARGACEPT, INC. (US) | 2006-03-30 | — | — | WO | disclosed |