⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4299845 | 0.88 | — | — | |
| SCHEMBL4298358 | 0.84 | — | — | |
| SCHEMBL4299892 | 0.82 | TLR7 (0.30) | — | |
| SCHEMBL4302863 | 0.82 | MAPK1 (0.30) | — | |
| SCHEMBL4303866 | 0.82 | TLR7 (0.31) | — | |
| SCHEMBL4296390 | 0.78 | EPHX1 (0.34) | — | |
| SCHEMBL4299592 | 0.77 | TLR7 (0.35) | — | |
| SCHEMBL4299589 | 0.76 | — | — | |
| SCHEMBL4300715 | 0.76 | TLR7 (0.34) | — | |
| SCHEMBL4310767 | 0.76 | PDE10A (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006026760-A2 | 1-AMINO IMIDAZO-CONTAINING COMPOUNDS AND METHODS | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2006-03-09 | — | — | WO | disclosed |