⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28119778 | 0.73 | — | — | |
| SCHEMBL27532709 | 0.73 | — | — | |
| SCHEMBL9148785 | 0.73 | — | — | |
| SCHEMBL2780100 | 0.73 | — | — | |
| Ammonia Solution, Strong SCHEMBL28370177 | 0.71 | — | — | |
| SCHEMBL7526869 | 0.69 | TSHR (0.32) | — | |
| SCHEMBL30722022 | 0.69 | — | — | |
| SCHEMBL14676097 | 0.69 | — | — | |
| SCHEMBL3589907 | 0.67 | — | — | |
| SCHEMBL22423549 | 0.67 | — | — |
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-20060088475-A1 | Self-immolative magnetic resonance imaging contrast agents sensitive to beta-glucuronidase | NORTHWESTERN UNIVERSITY (US) | 2006-04-27 | — | — | US | disclosed |
| WO-2005115105-A2 | SELF-IMMOLATIVE MAGNETIC RESONANCE IMAGING CONTRAST AGENTS SENSITIVE TO BETA-GLUCURONIDASE | NORTHWESTERN UNIVERSITY (US) | 2005-12-08 | — | — | WO | disclosed |