⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9835280 | 0.87 | KDM4E (0.30) | — | |
| SCHEMBL9833068 | 0.81 | TDP2 (0.44) | — | |
| SCHEMBL9834375 | 0.80 | PGR (0.36) | — | |
| SCHEMBL9834093 | 0.77 | MAOB (0.34) | — | |
| SCHEMBL9834590 | 0.77 | PGR (0.40) | — | |
| SCHEMBL10565679 | 0.75 | AMY1A (0.33) | — | |
| SCHEMBL9834699 | 0.75 | ADAMTS5 (0.38) | — | |
| SCHEMBL9832544 | 0.74 | CHRNB2 (0.42) | — | |
| SCHEMBL9834194 | 0.72 | — | — | |
| SCHEMBL9834558 | 0.71 | CHRNB2 (0.39) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0214592-B1 | PYRROLOBENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THESE PRODUCTS | Roche Diagnostics GmbH (DE) | 1991-08-14 | — | — | EP | disclosed |
| US-4730003-A | Tricyclic compounds for treating heart and circulatory diseases | BOEHRINGER MANNHEIM GMBH (DE) | 1988-03-08 | — | — | US | disclosed |
| EP-0214592-A2 | Pyrrolobenzimidazoles, process for their preparation and medicaments containing these products | Roche Diagnostics GmbH (DE) | 1987-03-18 | — | — | EP | disclosed |