⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31539669 | 0.70 | — | — | |
| SCHEMBL3791022 | 0.64 | — | — | |
| SCHEMBL18634866 | 0.63 | — | — | |
| SCHEMBL12157374 | 0.63 | — | — | |
| SCHEMBL10754207 | 0.63 | — | — | |
| SCHEMBL10713168 | 0.61 | — | — | |
| SCHEMBL10369973 | 0.59 | POLB (0.35) | — | |
| SCHEMBL28579024 | 0.59 | — | — | |
| SCHEMBL4240477 | 0.59 | — | — | |
| SCHEMBL11577686 | 0.59 | — | — |
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-7888351-B2 | Organic compounds | NOVARTIS AG (CH) | 2011-02-15 | — | — | US | disclosed |
| US-20110034462-A1 | ORGANIC COMPOUNDS | BAESCHLIN DANIEL KASPAR | 2011-02-10 | — | — | US | disclosed |
| US-20090281069-A1 | ORGANIC COMPOUNDS | BAESCHLIN DANIEL KASPAR | 2009-11-12 | — | — | US | disclosed |
| EP-2007723-A2 | ORGANIC COMPOUNDS | Novartis AG (CH) | 2008-12-31 | — | — | EP | disclosed |
| WO-2007115821-A2 | ORGANIC COMPOUNDS | NOVARTIS AG (CH) | 2007-10-18 | — | — | WO | disclosed |