⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1155765 | 0.76 | — | — | |
| SCHEMBL954853 | 0.68 | HTR7 (0.33) | — | |
| SCHEMBL955795 | 0.68 | CCR1 (0.52) | — | |
| SCHEMBL8155129 | 0.68 | TSHR (0.44) | — | |
| SCHEMBL1200314 | 0.65 | — | — | |
| SCHEMBL14050849 | 0.65 | — | — | |
| SCHEMBL29648125 | 0.65 | — | — | |
| SCHEMBL4539475 | 0.65 | — | — | |
| SCHEMBL9373958 | 0.65 | — | — | |
| SCHEMBL10500389 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5858329-A | MRI diagnostic procedures using tripodal pyridinyl metal complexes | HOECHST CELANESE CORPORATION (US) | 1999-01-12 | — | — | US | disclosed |
| US-5824288-A | CONTRAST AGENTS FOR MAGNETIC RESONANCE IMAGING | HOECHST CELANESE CORPORATION (US) | 1998-10-20 | — | — | US | disclosed |
| US-5820851-A | MAGNETIC RESONANCE IMAGING; RESOLUTION | HOECHST CELANESE CORPORATION (US) | 1998-10-13 | — | — | US | disclosed |