⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9504203 | 1.00 | — | — | |
| SCHEMBL9852791 | 0.80 | — | — | |
| SCHEMBL9852788 | 0.80 | — | — | |
| Acetic Acid SCHEMBL9240467 | 0.76 | FFAR3 (0.37) | — | |
| SCHEMBL24119994 | 0.74 | — | — | |
| SCHEMBL3630142 | 0.74 | — | — | |
| SCHEMBL10516298 | 0.72 | — | — | |
| Acetic Acid SCHEMBL10866192 | 0.70 | FFAR3 (0.32) | — | |
| SCHEMBL3026531 | 0.67 | — | — | |
| SCHEMBL6110717 | 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 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 |