⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13308213 | 0.81 | — | — | |
| SCHEMBL1768912 | 0.72 | — | — | |
| SCHEMBL1172952 | 0.70 | — | — | |
| SCHEMBL24871 | 0.70 | — | — | |
| SCHEMBL32348 | 0.69 | — | — | |
| SCHEMBL23441780 | 0.67 | — | — | |
| Fluoride SCHEMBL1874110 | 0.67 | — | — | |
| SCHEMBL21597012 | 0.67 | — | — | |
| SCHEMBL116416 | 0.67 | — | — | |
| SCHEMBL18341554 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10662359-B2 | Heat transfer fluids and methods of using same | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2020-05-26 | — | — | US | disclosed |