⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1563627 | 0.86 | CYP1A2 (0.48) | — | |
| SCHEMBL1362379 | 0.77 | — | — | |
| SCHEMBL1790270 | 0.76 | — | — | |
| SCHEMBL524422 | 0.74 | — | — | |
| SCHEMBL5017011 | 0.74 | — | — | |
| SCHEMBL14996198 | 0.74 | — | — | |
| SCHEMBL12142184 | 0.74 | — | — | |
| SCHEMBL50397 | 0.74 | — | — | |
| SCHEMBL6277604 | 0.74 | — | — | |
| SCHEMBL478542 | 0.74 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8865732-B2 | Heterocyclic compounds and uses thereof | NOVARTIS AG (CH) | 2014-10-21 | — | — | US | disclosed |
| US-20130210818-A1 | Novel Heterocyclic Compounds and Uses Thereof | NOVARTIS AG (CH) | 2013-08-15 | — | — | US | disclosed |
| US-8129394-B2 | Heteroaryl-substituted imidazole compounds and uses thereof | NOVARTIS AG (CH) | 2012-03-06 | — | — | US | disclosed |
| US-20100003246-A1 | Novel heterocyclic compounds and uses therof | NOVARTIS AG (CH) | 2010-01-07 | — | — | US | disclosed |