⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5707061 | 0.81 | HTT (0.35) | — | |
| SCHEMBL17743536 | 0.81 | HTT (0.35) | — | |
| SCHEMBL17743604 | 0.77 | ALDH1A1 (0.36) | — | |
| SCHEMBL6355833 | 0.72 | — | — | |
| SCHEMBL8937888 | 0.72 | — | — | |
| SCHEMBL8937885 | 0.72 | — | — | |
| SCHEMBL10437480 | 0.67 | ALDH1A1 (0.38) | — | |
| Acetic Acid SCHEMBL19834918 | 0.67 | FFAR3 (0.35) | — | |
| SCHEMBL23829659 | 0.65 | — | — | |
| SCHEMBL9447746 | 0.65 | TRPA1 (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-0539572-A1 | LOW-SULFUR DIESEL FUELS CONTAINING ORGANOMETALLIC COMPLEXES | The Lubrizol Corporation (US) | 1993-05-05 | — | — | EP | disclosed |