⚠ 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 | |
|---|---|---|---|---|
| Fluoride SCHEMBL7163696 | 0.91 | — | — | |
| SCHEMBL6408109 | 0.91 | — | — | |
| Fluoride SCHEMBL27620859 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL31473321 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL8029281 | 0.83 | — | — | |
| SCHEMBL1357 | 0.82 | — | — | |
| SCHEMBL29859818 | 0.82 | — | — | |
| SCHEMBL14722063 | 0.82 | — | — | |
| SCHEMBL1485806 | 0.73 | — | — | |
| SCHEMBL3248062 | 0.73 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0609028-B1 | Dry exhaust gas conditioning | BRITISH OXYGEN CO LTD (GB) | 2000-06-28 | — | — | EP | disclosed |
| EP-0609028-A1 | Dry exhaust gas conditioning | BOC LIMITED (GB) | 1994-08-03 | — | — | EP | disclosed |