⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28930527 | 0.72 | — | — | |
| SCHEMBL9142876 | 0.71 | — | — | |
| SCHEMBL270306 | 0.71 | — | — | |
| SCHEMBL6120973 | 0.70 | — | — | |
| SCHEMBL1483243 | 0.67 | — | — | |
| SCHEMBL12191272 | 0.67 | — | — | |
| SCHEMBL3747159 | 0.67 | — | — | |
| SCHEMBL10075630 | 0.67 | — | — | |
| SCHEMBL1936664 | 0.67 | — | — | |
| SCHEMBL15679696 | 0.67 | — | — |
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-0271040-A2 | Pyrrolobenzimidazoles, process for their preparation, and medicaments | Roche Diagnostics GmbH (DE) | 1988-06-15 | — | — | EP | disclosed |