⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL819697 | 0.73 | — | — | |
| SCHEMBL333343 | 0.73 | — | — | |
| SCHEMBL333344 | 0.73 | — | — | |
| SCHEMBL11982836 | 0.71 | — | — | |
| SCHEMBL332769 | 0.71 | — | — | |
| SCHEMBL471772 | 0.71 | — | — | |
| SCHEMBL22693903 | 0.69 | — | — | |
| SCHEMBL1537186 | 0.69 | — | — | |
| SCHEMBL1537188 | 0.69 | — | — | |
| SCHEMBL20292739 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7998916-B2 | Replacement solvents having improved properties and methods of using the same | MAINSTREAM ENGINEERING CORPORATION (US) | 2011-08-16 | — | — | US | disclosed |
| US-7960331-B2 | Replacement solvents having improved properties and methods of using the same | GRZYLL LAWRENCE R | 2011-06-14 | — | — | US | disclosed |