⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11541764 | 0.74 | — | — | |
| SCHEMBL270022 | 0.69 | — | — | |
| SCHEMBL7631831 | 0.64 | — | — | |
| SCHEMBL188748 | 0.64 | — | — | |
| SCHEMBL11542203 | 0.64 | TSHR (0.42) | — | |
| Hydroxyl Radical SCHEMBL11251036 | 0.61 | — | — | |
| SCHEMBL139717 | 0.61 | — | — | |
| SCHEMBL6141348 | 0.61 | — | — | |
| SCHEMBL1032009 | 0.61 | — | — | |
| SCHEMBL1031146 | 0.61 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130315959-A1 | COMPOUNDS | NOVARTIS AG (CH) | 2013-11-28 | — | — | US | disclosed |
| EP-2655389-A2 | COMPOUNDS | Novartis AG (CH) | 2013-10-30 | — | — | EP | disclosed |
| WO-2012085668-A2 | COMPOUNDS | NOVARTIS AG (CH) | 2012-06-28 | — | — | WO | disclosed |