⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3357586 | 1.00 | — | — | |
| SCHEMBL3357590 | 1.00 | — | — | |
| SCHEMBL5939656 | 0.84 | EPAS1 (0.38) | — | |
| SCHEMBL5939379 | 0.84 | EPAS1 (0.38) | — | |
| SCHEMBL5939649 | 0.84 | EPAS1 (0.38) | — | |
| SCHEMBL5939367 | 0.84 | EPAS1 (0.38) | — | |
| SCHEMBL944517 | 0.79 | — | — | |
| SCHEMBL12687909 | 0.79 | EPAS1 (0.32) | — | |
| SCHEMBL5669683 | 0.79 | — | — | |
| SCHEMBL15321566 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20130184313-A1 | NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2013-07-18 | — | — | US | disclosed |
| US-8445684-B2 | Nicotinic acetylcholine receptor ligands and the uses thereof | PsycoGenics Inc. (US) | 2013-05-21 | — | — | US | disclosed |
| US-20100152450-A1 | NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF | PSYCHOGENICS, INC. (US) | 2010-06-17 | — | — | US | disclosed |