⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL35822 | 0.97 | — | — | |
| SCHEMBL27974695 | 0.94 | — | — | |
| Potassium SCHEMBL31590863 | 0.94 | — | — | |
| SCHEMBL28041169 | 0.94 | — | — | |
| Ethylene Glycol SCHEMBL27616494 | 0.94 | MAPK1 (0.38) | — | |
| Methoxymethane SCHEMBL2878577 | 0.91 | MAPK1 (0.36) | — | |
| SCHEMBL28528977 | 0.91 | MAPK1 (0.36) | — | |
| Dioxane SCHEMBL3898245 | 0.87 | USP2 (0.35) | — | |
| Acetic Acid SCHEMBL28275735 | 0.86 | FFAR3 (0.37) | — | |
| SCHEMBL20398411 | 0.84 | MEN1 (0.55) | — |
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-20110088594-A1 | FLUOROSURFACTANTS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2011-04-21 | — | — | US | disclosed |