⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4421530 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL9400716 | 0.92 | — | — | |
| SCHEMBL6525155 | 0.69 | — | — | |
| SCHEMBL15899108 | 0.69 | — | — | |
| SCHEMBL1767601 | 0.69 | — | — | |
| Hydrogen Sulfide SCHEMBL10900824 | 0.67 | — | — | |
| SCHEMBL28906303 | 0.67 | — | — | |
| SCHEMBL23518 | 0.67 | — | — | |
| SCHEMBL413098 | 0.67 | — | — | |
| Isopropyl Alcohol SCHEMBL11226038 | 0.66 | — | — |
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-0041401-B1 | METHOD AND MIXTURE FOR PRODUCING CELLULOSIC PULPS | THE BOARD OF REGENTS OF THE UNIVERSITY OF WASHINGTON (US) | 1983-11-09 | — | — | EP | disclosed |
| EP-0041401-A1 | Method and mixture for producing cellulosic pulps | THE BOARD OF REGENTS OF THE UNIVERSITY OF WASHINGTON (US) | 1981-12-09 | — | — | EP | disclosed |