⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18498089 | 0.80 | CHRNB2 (0.72) | — | |
| SCHEMBL771577 | 0.80 | CHRNB2 (0.42) | — | |
| SCHEMBL14752967 | 0.78 | — | — | |
| SCHEMBL16472382 | 0.78 | CHRNB2 (0.57) | — | |
| SCHEMBL12683426 | 0.78 | CHRNB2 (0.57) | — | |
| SCHEMBL10005081 | 0.78 | — | — | |
| SCHEMBL771849 | 0.77 | BRD4 (0.44) | — | |
| SCHEMBL22653920 | 0.77 | GAA (0.47) | — | |
| SCHEMBL19686899 | 0.76 | CHRNB2 (0.55) | — | |
| SCHEMBL18484867 | 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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1817036-B1 | MODULATORS OF MUSCARINIC RECEPTORS | VERTEX PHARMA (US) | 2012-07-04 | — | — | EP | claimed |
| CN-101784516-A | Dipeptide analogs as coagulation factor inhibitors | BRISTOL MYERS SQUIBB CO | 2010-07-21 | — | — | CN | claimed |
| EP-1817036-A2 | MODULATORS OF MUSCARINIC RECEPTORS | Vertex Pharmaceuticals Incorporated (US) | 2007-08-15 | — | — | EP | claimed |
| US-20060270653-A1 | Modulators of muscarinic receptors | VERTEX PHARMACEUTICALS INCORPORATED | 2006-11-30 | — | — | US | claimed |
| WO-2006058303-A2 | MODULATORS OF MUSCARINIC RECEPTORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2006-06-01 | — | — | WO | claimed |
| CN-101784516-B | Dipeptide analogs as coagulation factor inhibitors | BRISTOL MYERS SQUIBB CO | 2014-07-02 | — | — | CN | disclosed |
| EP-1817036-B1 | MODULATORS OF MUSCARINIC RECEPTORS | VERTEX PHARMA (US) | 2012-07-04 | — | — | EP | disclosed |
| US-7863449-B2 | Modulators of muscarinic receptors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-01-04 | — | — | US | disclosed |
| CN-101784516-A | Dipeptide analogs as coagulation factor inhibitors | BRISTOL MYERS SQUIBB CO | 2010-07-21 | — | — | CN | disclosed |
| EP-1817036-A2 | MODULATORS OF MUSCARINIC RECEPTORS | Vertex Pharmaceuticals Incorporated (US) | 2007-08-15 | — | — | EP | disclosed |
| US-20060270653-A1 | Modulators of muscarinic receptors | VERTEX PHARMACEUTICALS INCORPORATED | 2006-11-30 | — | — | US | disclosed |
| WO-2006058303-A2 | MODULATORS OF MUSCARINIC RECEPTORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2006-06-01 | — | — | WO | disclosed |