⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28070037 | 0.74 | — | — | |
| SCHEMBL10435415 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL10418674 | 0.65 | — | — | |
| SCHEMBL30927080 | 0.63 | — | — | |
| SCHEMBL27809794 | 0.63 | — | — | |
| SCHEMBL28308797 | 0.63 | — | — | |
| SCHEMBL31280321 | 0.62 | — | — | |
| SCHEMBL6999700 | 0.61 | NPY5R (0.30) | — | |
| SCHEMBL7041041 | 0.60 | — | — | |
| SCHEMBL13517610 | 0.60 | — | — |
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-8053574-B2 | Organic compounds | NOVARTIS AG (CH) | 2011-11-08 | — | — | US | disclosed |
| US-20100197682-A1 | Organic Compounds | NOVARTIS AG | 2010-08-05 | — | — | US | disclosed |
| EP-2178868-A1 | BICYCLIC HETEROARYL COMPOUNDS AND THEIR USE AS KINASE INHIBITORS | Novartis Ag (CH) | 2010-04-28 | — | — | EP | disclosed |
| WO-2009010530-A1 | BICYCLIC HETEROARYL COMPOUNDS AND THEIR USE AS KINASE INHIBITORS | NOVARTIS AG (CH) | 2009-01-22 | — | — | WO | disclosed |