⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5447361 | 0.91 | — | — | |
| SCHEMBL5458912 | 0.85 | — | — | |
| SCHEMBL5448424 | 0.85 | KDR (0.32) | — | |
| SCHEMBL5459694 | 0.82 | — | — | |
| SCHEMBL5449923 | 0.77 | CBFB (0.33) | — | |
| SCHEMBL5444071 | 0.76 | PIM1 (0.33) | — | |
| SCHEMBL5452401 | 0.73 | PIM1 (0.31) | — | |
| SCHEMBL5452236 | 0.72 | KDR (0.37) | — | |
| SCHEMBL5899283 | 0.72 | BRAF (0.44) | — | |
| SCHEMBL5447176 | 0.72 | ERN1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20070021456-A1 | Aminobenzimidazole derivatives | MERCK PATENT GMBH (DE) | 2007-01-25 | — | — | US | claimed |