⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22235870 | 0.91 | — | — | |
| SCHEMBL9306345 | 0.84 | SMPD1 (0.35) | — | |
| SCHEMBL14531046 | 0.82 | — | — | |
| SCHEMBL14531541 | 0.77 | — | — | |
| SCHEMBL11311404 | 0.77 | — | — | |
| SCHEMBL14531526 | 0.77 | — | — | |
| SCHEMBL14531540 | 0.77 | — | — | |
| SCHEMBL22235872 | 0.76 | BTN3A1 (0.38) | — | |
| SCHEMBL17923997 | 0.75 | — | — | |
| SCHEMBL435550 | 0.71 | MAPK1 (0.38) | — |
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-5330622-A | Applying glyoxal, dimeric alkylketene and diethanolamine salt of perfluoroalkyl ethyl phosphate to base with aid of impregnating press | AUSSEDAT-REY (FR) | 1994-07-19 | — | — | US | claimed |