⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9357908 | 0.80 | — | — | |
| SCHEMBL44994 | 0.79 | — | — | |
| Perflutren SCHEMBL8346081 | 0.78 | LMNA (0.35) | — | |
| SCHEMBL7951805 | 0.75 | — | — | |
| Fluoride SCHEMBL11724518 | 0.75 | — | — | |
| SCHEMBL8733945 | 0.75 | — | — | |
| SCHEMBL3741599 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL4433430 | 0.72 | — | — | |
| SCHEMBL7615072 | 0.72 | — | — | |
| Iodide SCHEMBL1728387 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017137912-A1 | SUPERCRITICAL EXTRACTION PROCESS | UNIVERSITY OF KWAZULU-NATAL (ZA) | 2017-08-17 | — | — | WO | claimed |
| EP-0708806-B1 | AZEOTROPE-LIKE COMPOSITIONS OF TRIFLUOROMETHANE AND CARBON DIOXIDE OR HEXAFLUOROETHANE AND CARBON DIOXIDE | ALLIED SIGNAL INC (US) | 1997-08-06 | — | — | EP | disclosed |