⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL474458 | 0.87 | — | — | |
| SCHEMBL10061318 | 0.87 | — | — | |
| SCHEMBL10062075 | 0.87 | — | — | |
| SCHEMBL20758469 | 0.87 | — | — | |
| SCHEMBL31653926 | 0.85 | — | — | |
| SCHEMBL13761136 | 0.85 | — | — | |
| SCHEMBL1586001 | 0.85 | — | — | |
| SCHEMBL23511211 | 0.85 | — | — | |
| SCHEMBL23330094 | 0.85 | — | — | |
| SCHEMBL1545668 | 0.85 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008112734-A1 | HETEROCYCLIC-CARBONYL-DIAZABICYCLOALKANES AS MODULATORS OF THE NEURONAL NICOTINIC ACETYLCHOLINE ALPHA 4 BETA 2, SUBTYPE RECEPTOR FOR THE TREATMENT OF CNS RELATED DISORDERS | TARGACEPT, INC. (US) | 2008-09-18 | — | — | WO | claimed |
| WO-2008112734-A1 | HETEROCYCLIC-CARBONYL-DIAZABICYCLOALKANES AS MODULATORS OF THE NEURONAL NICOTINIC ACETYLCHOLINE ALPHA 4 BETA 2, SUBTYPE RECEPTOR FOR THE TREATMENT OF CNS RELATED DISORDERS | TARGACEPT, INC. (US) | 2008-09-18 | — | — | WO | disclosed |