⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL233717 | 0.86 | — | — | |
| SCHEMBL25097577 | 0.80 | HRH3 (0.50) | — | |
| SCHEMBL3136369 | 0.80 | — | — | |
| SCHEMBL12674169 | 0.78 | PKM (0.55) | — | |
| SCHEMBL5415171 | 0.76 | — | — | |
| SCHEMBL5802912 | 0.76 | — | — | |
| SCHEMBL12590301 | 0.75 | HRH3 (0.53) | — | |
| SCHEMBL12083368 | 0.75 | PKM (0.47) | — | |
| SCHEMBL19080592 | 0.75 | — | — | |
| SCHEMBL20988132 | 0.72 | HRH3 (0.43) | — |
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-8436035-B2 | Organic compounds | NOVARTIS AG (CH) | 2013-05-07 | — | — | US | disclosed |
| EP-2069354-B1 | Aza-benzofuranyl compounds and methods of use | GENENTECH INC (US) | 2011-11-02 | — | — | EP | disclosed |
| EP-2099796-B1 | AZA-INDOLYL COMPOUNDS AND METHODS OF USE | GENENTECH INC (US) | 2011-06-01 | — | — | EP | disclosed |
| US-20100048562-A1 | ORGANIC COMPOUNDS | NOVARTIS AG (CH) | 2010-02-25 | — | — | US | disclosed |
| US-20090163493-A9 | cell proliferation, such as cancer, inflammation, and angiogenesis; fungal infections; antimalaria; Heat hock protein 90 (HSP-90) inhibitor | SERENEX, INC. | 2009-06-25 | — | — | US | disclosed |
| US-20080096887-A1 | cell proliferation, such as cancer, inflammation, and angiogenesis; fungal infections; antimalaria; Heat hock protein 90 (HSP-90) inhibitor | SERENEX, INC. | 2008-04-24 | — | — | US | disclosed |
| WO-2008024725-A1 | AZA-BENZOFURANYL COMPOUNDS AND METHODS OF USE | GENENTECH, INC. (US) | 2008-02-28 | — | — | WO | disclosed |