⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13398605 | 1.00 | — | — | |
| SCHEMBL2694041 | 0.76 | — | — | |
| SCHEMBL16076273 | 0.76 | — | — | |
| SCHEMBL16076277 | 0.76 | — | — | |
| SCHEMBL2608814 | 0.73 | ALOX15 (0.31) | — | |
| SCHEMBL14872327 | 0.72 | CYP2C9 (0.48) | — | |
| SCHEMBL1841914 | 0.72 | CYP2C9 (0.48) | — | |
| SCHEMBL16033262 | 0.72 | CYP2C9 (0.48) | — | |
| SCHEMBL16076275 | 0.72 | CYP2C9 (0.48) | — | |
| SCHEMBL16033260 | 0.72 | CYP2C9 (0.48) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140045779-A1 | COMPOUNDS CONTAINING AN ALICYCLIE STRUCTURE AND ANTI-TUMOR APPLICATION | XU LIFENG (US) | 2014-02-13 | — | — | US | claimed |
| US-20140045779-A1 | COMPOUNDS CONTAINING AN ALICYCLIE STRUCTURE AND ANTI-TUMOR APPLICATION | XU LIFENG (US) | 2014-02-13 | — | — | US | disclosed |
| US-20140045779-A1 | COMPOUNDS CONTAINING AN ALICYCLIE STRUCTURE AND ANTI-TUMOR APPLICATION | XU LIFENG (US) | 2014-02-13 | — | — | US | disclosed |
| US-20140045779-A1 | COMPOUNDS CONTAINING AN ALICYCLIE STRUCTURE AND ANTI-TUMOR APPLICATION | XU LIFENG (US) | 2014-02-13 | — | — | US | disclosed |
| US-8367696-B2 | Aza-bridged-ring compound | ASTELLAS PHARMA INC. (JP) | 2013-02-05 | — | — | US | disclosed |
| US-20100105654-A1 | SUBSTITUTED QUINAZOLINONE COMPOUNDS | NOVARTIS VACCINES AND DIAGNOSTICS, INC. | 2010-04-29 | — | — | US | disclosed |
| US-20100105658-A1 | AZA-BRIDGED-RING COMPOUND | ASTELLAS PHARMA INC. (JP) | 2010-04-29 | — | — | US | disclosed |
| EP-2119716-A1 | AZA-BRIDGED-RING COMPOUND | Astellas Pharma Inc. (JP) | 2009-11-18 | — | — | EP | disclosed |