⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15576952 | 0.83 | — | — | |
| SCHEMBL12959746 | 0.78 | — | — | |
| SCHEMBL30174982 | 0.78 | ALDH1A1 (0.37) | — | |
| SCHEMBL1495194 | 0.74 | — | — | |
| SCHEMBL10564726 | 0.74 | — | — | |
| SCHEMBL29663797 | 0.70 | TRIM24 (0.40) | — | |
| SCHEMBL11119650 | 0.70 | TRIM24 (0.40) | — | |
| SCHEMBL18410160 | 0.70 | TRIM24 (0.40) | — | |
| SCHEMBL16689103 | 0.69 | TNKS2 (0.31) | — | |
| SCHEMBL1495223 | 0.69 | — | — |
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 5 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 |
| EP-2342192-A2 | NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF | Psychogenics Inc. (US) | 2011-07-13 | — | — | EP | disclosed |
| US-20100152450-A1 | NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF | PSYCHOGENICS, INC. (US) | 2010-06-17 | — | — | US | disclosed |
| WO-2010045212-A2 | NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF | PSYCHOGENICS, INCSTATUTS (US) | 2010-04-22 | — | — | WO | disclosed |