⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14432823 | 0.86 | NAAA (0.33) | — | |
| SCHEMBL17219824 | 0.79 | — | — | |
| SCHEMBL4476521 | 0.78 | — | — | |
| SCHEMBL9875194 | 0.76 | — | — | |
| SCHEMBL16153182 | 0.76 | ATM (0.52) | — | |
| SCHEMBL27917852 | 0.74 | CYP19A1 (0.44) | — | |
| SCHEMBL16381863 | 0.73 | — | — | |
| SCHEMBL8732103 | 0.73 | MGLL (0.45) | — | |
| SCHEMBL27900198 | 0.73 | NAAA (0.62) | — | |
| SCHEMBL6333160 | 0.72 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0998946-A1 | Non-porphyrin compound for use as a diagnosticum and/or pharmaceutical | K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) | 2000-05-10 | — | — | EP | claimed |
| CN-100352805-C | Substituted bis-indole derivatives useful as contrast agents, pharmaceutical compositions containing them and intermediates for producing them | LEUVEN K U RES & DEV (BE) | 2007-12-05 | — | — | CN | disclosed |
| 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 |
| CN-1486299-A | Substituted bis-indole derivatives useful as contrast agents, pharmaceutical compositions containing them and intermediates for producing them | ³�������̴�ѧ�о������� | 2004-03-31 | — | — | CN | 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 |