⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9429517 | 0.93 | ALDH1A1 (0.36) | — | |
| SCHEMBL9429570 | 0.87 | ALDH1A1 (0.38) | — | |
| SCHEMBL9663223 | 0.86 | AGTR1 (0.30) | — | |
| SCHEMBL9664198 | 0.84 | CFTR (0.30) | — | |
| SCHEMBL7310871 | 0.83 | AGTR2 (0.37) | — | |
| SCHEMBL9664770 | 0.83 | PPARG (0.33) | — | |
| SCHEMBL8547883 | 0.82 | PPARG (0.32) | — | |
| SCHEMBL9318415 | 0.81 | KDM4E (0.31) | — | |
| SCHEMBL8957332 | 0.81 | — | — | |
| SCHEMBL8545688 | 0.81 | ALDH1A1 (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-0514193-A1 | N-linked imidazolyl-methyl benzofuran derivatives with antihypotensive activity | GLAXO GROUP LIMITED (GB) | 1992-11-19 | — | — | EP | disclosed |