⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20817336 | 1.00 | — | — | |
| SCHEMBL21195521 | 1.00 | — | — | |
| SCHEMBL3334129 | 1.00 | — | — | |
| SCHEMBL928162 | 1.00 | — | — | |
| SCHEMBL30382313 | 0.85 | LTA4H (0.31) | — | |
| SCHEMBL13703419 | 0.81 | — | — | |
| SCHEMBL8319536 | 0.74 | — | — | |
| SCHEMBL1711809 | 0.72 | CHRM2 (0.42) | — | |
| SCHEMBL12275013 | 0.72 | CHRM2 (0.42) | — | |
| SCHEMBL1711248 | 0.72 | CHRM2 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20100144700-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) | 2010-06-10 | — | — | US | disclosed |
| 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 |