⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9294840 | 0.94 | — | — | |
| SCHEMBL3857857 | 0.91 | — | — | |
| SCHEMBL19419085 | 0.77 | — | — | |
| SCHEMBL2470159 | 0.76 | — | — | |
| SCHEMBL16768963 | 0.75 | CA1 (0.57) | — | |
| SCHEMBL8872590 | 0.75 | CA1 (0.57) | — | |
| SCHEMBL10873960 | 0.75 | CA1 (0.57) | — | |
| SCHEMBL14046617 | 0.72 | CA2 (0.30) | — | |
| SCHEMBL26824196 | 0.72 | — | — | |
| SCHEMBL17773551 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040131551-A1 | Enhanced relaxivity monomeric and multimeric compounds | BRISTOL-MYERS SQUIBB COMPANY | 2004-07-08 | — | — | US | disclosed |
| US-6693190-B1 | TETRAAZACYCLODODECANE MACROCYCLE DERIVATIVES INCLUDING METAL COMPLEXES; MAGNETIC RESONANCE IMAGING AGENTS | BRACCO INTERNATIONAL B.V. (NL) | 2004-02-17 | — | — | US | disclosed |
| EP-0708761-B1 | ENHANCED RELAXIVITY MONOMERIC AND MULTIMERIC COMPOUNDS | BRACCO INT BV (NL) | 2002-08-14 | — | — | EP | disclosed |
| WO-1995031444-A1 | ENHANCED RELAXIVITY MONOMERIC AND MULTIMERIC COMPOUNDS | BRACCO INTERNATIONAL B.V. (NL) | 1995-11-23 | — | — | WO | disclosed |