⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL441212 | 0.65 | — | — | |
| SCHEMBL639138 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL10628064 | 0.62 | — | — | |
| SCHEMBL732888 | 0.60 | — | — | |
| SCHEMBL5241136 | 0.60 | — | — | |
| SCHEMBL4864575 | 0.57 | — | — | |
| SCHEMBL10837769 | 0.57 | — | — | |
| Alcohol SCHEMBL10479177 | 0.57 | — | — | |
| Propionaldehyde SCHEMBL8748060 | 0.55 | — | — | |
| SCHEMBL6401639 | 0.55 | — | — |
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-0275888-A2 | Tricyclic benzimidazoles, process for their preparation and use as medicaments | Roche Diagnostics GmbH (DE) | 1988-07-27 | — | — | EP | disclosed |