⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21357734 | 0.81 | CYP3A4 (0.32) | — | |
| SCHEMBL1161686 | 0.77 | CYP3A4 (0.31) | — | |
| SCHEMBL30987833 | 0.76 | — | — | |
| SCHEMBL14634845 | 0.76 | — | — | |
| SCHEMBL29375642 | 0.76 | MAP3K7 (0.32) | — | |
| SCHEMBL3171712 | 0.76 | — | — | |
| SCHEMBL2790558 | 0.75 | NOS2 (0.33) | — | |
| SCHEMBL1994353 | 0.75 | — | — | |
| SCHEMBL21694902 | 0.74 | DNMT1 (0.33) | — | |
| SCHEMBL14286644 | 0.74 | ADORA3 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20070248547-A1 | CASCADE MACROMOLECULAR CONTRAST AGENTS FOR MEDICAL IMAGING | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2007-10-25 | — | — | US | disclosed |