⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13696551 | 0.79 | CCNK (0.34) | — | |
| SCHEMBL2011411 | 0.79 | CCNK (0.34) | — | |
| SCHEMBL2012279 | 0.68 | HRH4 (0.37) | — | |
| SCHEMBL13696548 | 0.68 | HRH4 (0.37) | — | |
| SCHEMBL2009397 | 0.64 | HRH4 (0.36) | — | |
| SCHEMBL13696568 | 0.64 | HRH4 (0.36) | — | |
| SCHEMBL2008040 | 0.60 | HRH4 (0.37) | — | |
| SCHEMBL4124337 | 0.60 | HRH4 (0.37) | — | |
| SCHEMBL2009122 | 0.56 | HRH4 (0.38) | — | |
| SCHEMBL13696546 | 0.56 | HRH4 (0.38) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1852432-A1 | NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF | ONO PHARMACEUTICAL CO., LTD. (JP) | 2007-11-07 | — | — | EP | disclosed |