⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13939862 | 0.83 | TBXAS1 (0.35) | — | |
| SCHEMBL9593515 | 0.78 | — | — | |
| SCHEMBL7878734 | 0.78 | GABRR1 (0.46) | — | |
| SCHEMBL14206716 | 0.75 | PDE3B (0.44) | — | |
| SCHEMBL3986519 | 0.74 | PDE3B (0.45) | — | |
| SCHEMBL2514680 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL13447364 | 0.72 | CYP1A2 (0.42) | — | |
| SCHEMBL2538635 | 0.71 | CYP1A2 (0.41) | — | |
| SCHEMBL7618263 | 0.71 | TAAR1 (0.58) | — | |
| SCHEMBL13412493 | 0.71 | DAO (0.39) | — |
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-20090238768-A1 | MULTIMERIC MAGNETIC RESONANCE CONTRAST AGENTS | AXELSSON OSKAR | 2009-09-24 | — | — | US | disclosed |