⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9077290 | 0.73 | PSMB8 (0.43) | — | |
| SCHEMBL7241872 | 0.69 | CACNA1H (0.34) | — | |
| SCHEMBL6994892 | 0.68 | PSMB8 (0.46) | — | |
| SCHEMBL8560478 | 0.65 | CSNK1E (0.38) | — | |
| SCHEMBL10960498 | 0.64 | PSMB8 (0.52) | — | |
| SCHEMBL9077294 | 0.59 | PSMB8 (0.37) | — | |
| SCHEMBL6994033 | 0.58 | PSMB8 (0.48) | — | |
| SCHEMBL23448501 | 0.55 | NQO2 (0.43) | — | |
| SCHEMBL6583417 | 0.54 | MEN1 (0.43) | — | |
| SCHEMBL10960503 | 0.54 | ALDH1A1 (0.48) | — |
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-0820457-A1 | BENZIMIDAZOLE DERIVATIVES | BAYER AG (DE) | 1998-01-28 | — | — | EP | disclosed |