⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9176487 | 0.88 | — | — | |
| SCHEMBL9177952 | 0.88 | — | — | |
| SCHEMBL9682908 | 0.88 | — | — | |
| SCHEMBL9191883 | 0.88 | — | — | |
| SCHEMBL8629695 | 0.81 | ALDH1A1 (0.39) | — | |
| SCHEMBL8625995 | 0.81 | — | — | |
| SCHEMBL8624812 | 0.81 | ALDH1A1 (0.39) | — | |
| SCHEMBL9241645 | 0.75 | — | — | |
| SCHEMBL9862845 | 0.73 | — | — | |
| SCHEMBL8627186 | 0.72 | LMNA (0.33) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0430887-B1 | Heteroatom containing 3,3-bis perfluoroalkyl oxetanes and polyethers therefrom | CIBA GEIGY AG (CH) | 1998-06-24 | — | — | EP | disclosed |
| US-5097048-A | Having heat resistance, oil and water repellency; coatings | CIBA-GEIGY CORPORATION (US) | 1992-03-17 | — | — | US | disclosed |
| US-5097067-A | Oil repellants and water repellants for textiles, glass, paper and leather | CIBA-GEIGY CORPORATION (US) | 1992-03-17 | — | — | US | disclosed |
| EP-0430887-A2 | Heteroatom containing 3,3-bis perfluoroalkyl oxetanes and polyethers therefrom | CIBA-GEIGY AG (CH) | 1991-06-05 | — | — | EP | disclosed |