⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2745940 | 0.78 | — | — | |
| SCHEMBL11072948 | 0.75 | — | — | |
| SCHEMBL13950396 | 0.75 | — | — | |
| SCHEMBL14720776 | 0.73 | — | — | |
| SCHEMBL69189 | 0.73 | — | — | |
| SCHEMBL5949386 | 0.73 | — | — | |
| SCHEMBL607485 | 0.71 | — | — | |
| SCHEMBL9532794 | 0.70 | OPRM1 (0.36) | — | |
| Ethane SCHEMBL23783521 | 0.69 | — | — | |
| Ammonia Solution, Strong SCHEMBL11328020 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2475668-A1 | ETHER DERIVATIVES OF BICYCLIC HETEROARYLS | Novartis AG (CH) | 2012-07-18 | — | — | EP | disclosed |
| US-20120165310-A1 | ETHER DERIVATIVES OF BICYCLIC HETEROARYLS | NOVARTIS AG (CH) | 2012-06-28 | — | — | US | disclosed |
| WO-2011029915-A1 | ETHER DERIVATIVES OF BICYCLIC HETEROARYLS | NOVARTIS AG (CH) | 2011-03-17 | — | — | WO | disclosed |