⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23701248 | 0.67 | — | — | |
| SCHEMBL4817438 | 0.67 | — | — | |
| SCHEMBL897281 | 0.67 | — | — | |
| SCHEMBL3696820 | 0.66 | — | — | |
| SCHEMBL2100496 | 0.65 | — | — | |
| SCHEMBL3797048 | 0.65 | — | — | |
| SCHEMBL706826 | 0.64 | — | — | |
| SCHEMBL9719073 | 0.64 | — | — | |
| SCHEMBL5897422 | 0.64 | — | — | |
| SCHEMBL9719065 | 0.64 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2229384-A1 | ORGANIC COMPOUNDS | Speedel Experimenta AG (CH) | 2010-09-22 | — | — | EP | disclosed |
| WO-2009071606-A1 | ORGANIC COMPOUNDS | NOVARTIS AG (CH) | 2009-06-11 | — | — | WO | disclosed |