⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL248446 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL7249482 | 0.80 | — | — | |
| Iodide SCHEMBL28768521 | 0.80 | — | — | |
| SCHEMBL19288504 | 0.79 | LPO (0.39) | — | |
| SCHEMBL12483005 | 0.78 | PTP4A3 (0.39) | — | |
| SCHEMBL15871029 | 0.77 | LPO (0.48) | — | |
| SCHEMBL6681970 | 0.75 | — | — | |
| SCHEMBL1219895 | 0.75 | — | — | |
| SCHEMBL4894556 | 0.73 | — | — | |
| SCHEMBL202798 | 0.73 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7081472-B2 | Substituted bis-indole derivatives useful as contrast agents, pharmaceutical compositions containing them and intermediates for producing them | K. U. LEUVEN RESEARCH & DEVELOPMENT (BE) | 2006-07-25 | — | — | US | disclosed |
| US-20040053911-A1 | Substituted bis-indole derivatives useful as contrast agents, pharmaceutical compositions containing them and intermediates for producing them | K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) | 2004-03-18 | — | — | US | disclosed |
| EP-1343758-A1 | SUBSTITUTED BIS-INDOLE DERIVATIVES USEFUL AS CONTRAST AGENTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES FOR PRODUCING THEM | K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) | 2003-09-17 | — | — | EP | disclosed |
| WO-2002038546-A1 | SUBSTITUTED BIS-INDOLE DERIVATIVES USEFUL AS CONTRAST AGENTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES FOR PRODUCING THEM | K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) | 2002-05-16 | — | — | WO | disclosed |