⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10563573 | 0.80 | TDP2 (0.44) | — | |
| SCHEMBL9835305 | 0.78 | ALDH1A1 (0.30) | — | |
| SCHEMBL10568138 | 0.73 | AURKA (0.31) | — | |
| SCHEMBL5740906 | 0.67 | MAPT (0.35) | — | |
| SCHEMBL5740081 | 0.67 | NQO2 (0.49) | — | |
| SCHEMBL5751031 | 0.67 | MEN1 (0.39) | — | |
| SCHEMBL5739849 | 0.67 | MAPT (0.44) | — | |
| SCHEMBL5988492 | 0.67 | TP53 (0.43) | — | |
| SCHEMBL9832287 | 0.67 | KDM4E (0.41) | — | |
| SCHEMBL5737972 | 0.66 | MAPT (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4835280-A | Indoline compounds for synthesis of pharmaceutically active pyrrolobenzimidazoles | BOEHRINGER MANNHEIM GMBH (DE) | 1989-05-30 | — | — | US | disclosed |
| EP-0189103-A2 | Pyrrolo-benzimidazoles, process for their preparation, medicaments containing them and intermediates | Roche Diagnostics GmbH (DE) | 1986-07-30 | — | — | EP | disclosed |