⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2104013 | 0.72 | — | — | |
| SCHEMBL6930148 | 0.69 | — | — | |
| SCHEMBL2294981 | 0.69 | — | — | |
| SCHEMBL12203191 | 0.69 | — | — | |
| SCHEMBL17729848 | 0.67 | — | — | |
| SCHEMBL752269 | 0.64 | — | — | |
| SCHEMBL12868839 | 0.64 | — | — | |
| SCHEMBL12869036 | 0.64 | — | — | |
| SCHEMBL23164 | 0.62 | — | — | |
| SCHEMBL15638641 | 0.62 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8012956-B2 | Tropane compounds | EXELIXIS, INC. (US) | 2011-09-06 | — | — | US | disclosed |
| EP-2074120-B1 | TROPANE COMPOUNDS | EXELIXIS INC (US) | 2010-03-03 | — | — | EP | disclosed |
| EP-2074120-A1 | TROPANE COMPOUNDS | Exelixis, Inc. (US) | 2009-07-01 | — | — | EP | disclosed |
| US-20090163471-A1 | Tropane compounds | EXELIXIS, INC. | 2009-06-25 | — | — | US | disclosed |
| WO-2009055077-A1 | TROPANE COMPOUNDS | EXELIXIS, INC. (US) | 2009-04-30 | — | — | WO | disclosed |