⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL2206774 | 0.98 | TAAR1 (0.40) | — | |
| SCHEMBL8671567 | 0.85 | MMP8 (0.46) | — | |
| SCHEMBL6565066 | 0.82 | TAAR1 (0.50) | — | |
| SCHEMBL353636 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL719171 | 0.78 | — | — | |
| SCHEMBL6605867 | 0.78 | — | — | |
| SCHEMBL22558665 | 0.77 | MMP8 (0.42) | — | |
| SCHEMBL5543296 | 0.77 | MMP8 (0.39) | — | |
| SCHEMBL16564263 | 0.76 | TAAR1 (0.41) | — | |
| SCHEMBL4526544 | 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 |
|---|---|---|---|---|---|---|---|
| US-8470859-B2 | Iminopyridine derivative and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-06-25 | — | — | US | disclosed |
| US-8470859-B2 | Iminopyridine derivative and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-06-25 | — | — | US | disclosed |
| US-8067598-B2 | Heterofused piperidines as orexin antagonists | HOFFMAN-LA ROCHE INC. (US) | 2011-11-29 | — | — | US | disclosed |
| EP-2144906-B1 | HETEROCYCLES AS OREXIN ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2011-06-15 | — | — | EP | disclosed |
| CN-101646668-A | Heterocycles as orexin antagonists | HOFFMANN LA ROCHE CH | 2010-02-10 | — | — | CN | disclosed |
| US-20100016315-A1 | Iminopyridine Derivative and Use Thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-01-21 | — | — | US | disclosed |
| US-20100016315-A1 | Iminopyridine Derivative and Use Thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-01-21 | — | — | US | disclosed |
| EP-2144906-A1 | HETEROCYCLES AS OREXIN ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2010-01-20 | — | — | EP | disclosed |
| WO-2008122513-A1 | HETEROCYCLES AS OREXIN ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-10-16 | — | — | WO | disclosed |
| US-20080249125-A1 | HETEROCYCLIC DERIVATIVES AS OREXIN ANTAGONISTS | HOFFMANN-LA ROCHE, INC. | 2008-10-09 | — | — | US | disclosed |
| EP-1751124-A2 | RAF MODULATORS AND METHODS OF USE | Exelixis, Inc. (US) | 2007-02-14 | — | — | EP | disclosed |
| WO-2005112932-A2 | RAF MODULATORS AND METHODS OF USE | EXELIXIS, INC. (US) | 2005-12-01 | — | — | WO | disclosed |