⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL30080645 | 0.98 | — | — | |
| SCHEMBL30080699 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL30080620 | 0.90 | — | — | |
| SCHEMBL24091768 | 0.86 | CNR2 (0.30) | — | |
| SCHEMBL23748073 | 0.85 | — | — | |
| SCHEMBL30080426 | 0.83 | CNR2 (0.32) | — | |
| SCHEMBL30080390 | 0.83 | POLB (0.37) | — | |
| SCHEMBL30080647 | 0.82 | — | — | |
| SCHEMBL23748048 | 0.82 | LMNA (0.34) | — | |
| Hydrochloric Acid SCHEMBL30080425 | 0.82 | CNR2 (0.31) | — |
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-3864016-B1 | PROCESS FOR PREPARING SUBSTITUTED IMIDAZOLE DERIVATIVES | BAYER AG (DE) | 2022-09-14 | — | — | EP | disclosed |