⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9204953 | 0.97 | — | — | |
| SCHEMBL9842918 | 0.97 | — | — | |
| SCHEMBL8692445 | 0.94 | — | — | |
| SCHEMBL6729668 | 0.92 | DPP4 (0.31) | — | |
| SCHEMBL6727166 | 0.85 | GCGR (0.32) | — | |
| SCHEMBL8310160 | 0.84 | GCGR (0.32) | — | |
| SCHEMBL28769051 | 0.83 | GCGR (0.32) | — | |
| SCHEMBL6733674 | 0.82 | — | — | |
| SCHEMBL9589270 | 0.82 | KDM4E (0.36) | — | |
| SCHEMBL8695146 | 0.81 | DPP4 (0.35) | — |
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-0654030-A1 | IMIDAZOLE DERIVATIVES HAVING A II ANTAGONIST ACTIVITY. | LUSO FARMACO INST (IT) | 1995-05-24 | — | — | EP | disclosed |