⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6962940 | 0.89 | HSP90B1 (0.31) | — | |
| SCHEMBL6973359 | 0.88 | — | — | |
| SCHEMBL6961556 | 0.84 | — | — | |
| SCHEMBL8010363 | 0.84 | HSP90B1 (0.32) | — | |
| SCHEMBL6974554 | 0.83 | MEN1 (0.31) | — | |
| SCHEMBL6969256 | 0.83 | HSP90B1 (0.30) | — | |
| SCHEMBL6974137 | 0.81 | CYP2C9 (0.32) | — | |
| SCHEMBL6165162 | 0.81 | — | — | |
| SCHEMBL6961074 | 0.81 | — | — | |
| SCHEMBL6966228 | 0.81 | TLR8 (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 |
|---|---|---|---|---|---|---|---|
| EP-0786455-A1 | IMIDAZOLE DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 1997-07-30 | — | — | EP | disclosed |