⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15654827 | 0.83 | — | — | |
| SCHEMBL25411430 | 0.77 | CYP2D6 (0.32) | — | |
| SCHEMBL26187008 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL18393475 | 0.74 | HSD17B10 (0.30) | — | |
| SCHEMBL1786234 | 0.74 | HSD17B10 (0.30) | — | |
| SCHEMBL1791330 | 0.74 | HSD17B10 (0.30) | — | |
| SCHEMBL344781 | 0.74 | HSD17B10 (0.30) | — | |
| SCHEMBL344780 | 0.74 | HSD17B10 (0.30) | — | |
| SCHEMBL2462767 | 0.71 | RAB9A (0.36) | — | |
| SCHEMBL19468591 | 0.70 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160046609-A1 | SYNTHESIS AND NOVEL SALT FORMS OF (R)-5-((E)-2-PYRROLIDIN-3YLVINYL)PYRIMIDINE | CATALYST BIOSCIENCES, INC. | 2016-02-18 | — | — | US | disclosed |
| EP-2442810-A2 | REVERSAL OF L-DOPA-INDUCED DYSKINESIA BY NEURONAL NICOTINIC RECEPTOR LIGANDS | Targacept Inc. (US) | 2012-04-25 | — | — | EP | disclosed |
| US-8153821-B2 | Compounds | TARGACEPT, INC. (US) | 2012-04-10 | — | — | US | disclosed |
| US-20120015983-A1 | Synthesis and Novel Salt Forms of (R)-3-((E)-pyrrolidin-3-yl)vinyl)-5-tetrahydropyran-4-yloxy)pyridine | TARGACEPT, INC. (US) | 2012-01-19 | — | — | US | disclosed |
| US-20110269975-A1 | NOVEL COMPOUNDS | TARGACEPT, INC. (US) | 2011-11-03 | — | — | US | disclosed |
| EP-2358670-A2 | Novel compounds | Targacept Inc. (US) | 2011-08-24 | — | — | EP | disclosed |
| EP-2358705-A1 | (R) -3- (E) -2- (PYRR0LIDIN-3-YL) VINYL) -5- (TETRAHYDR0PYRAN-4-YL0XY) PYRIDINE, ITS SALTS, ITS SYNTHESIS AND ITS USE AS LIGAND FOR NICOTINIC ACETYLCHOLINERGIC RECEPTORS | Targacept Inc. (US) | 2011-08-24 | — | — | EP | disclosed |