⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4190456 | 0.92 | — | — | |
| SCHEMBL29323360 | 0.79 | — | — | |
| SCHEMBL10546124 | 0.74 | — | — | |
| SCHEMBL9065354 | 0.69 | — | — | |
| SCHEMBL23837 | 0.67 | — | — | |
| SCHEMBL9618159 | 0.67 | — | — | |
| Trichlorethanol SCHEMBL1027 | 0.65 | — | — | |
| SCHEMBL4940727 | 0.65 | — | — | |
| SCHEMBL9751331 | 0.65 | — | — | |
| Methylene Chloride SCHEMBL7421886 | 0.64 | ALDH1A1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1986993-B1 | CONTRAST AGENTS | GE HEALTHCARE AS (NO) | 2012-12-05 | — | — | EP | disclosed |