⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL963046 | 0.74 | CTSD (0.50) | — | |
| SCHEMBL24434462 | 0.73 | ALDH1A1 (0.39) | — | |
| SCHEMBL12080684 | 0.71 | DGKA (0.38) | — | |
| SCHEMBL1808059 | 0.70 | TSHR (0.50) | — | |
| SCHEMBL12079699 | 0.69 | CYP1A2 (0.34) | — | |
| SCHEMBL3448402 | 0.68 | GAA (0.30) | — | |
| SCHEMBL3910166 | 0.68 | ALOX15 (0.37) | — | |
| SCHEMBL27538432 | 0.68 | TSHR (0.37) | — | |
| SCHEMBL9810225 | 0.68 | — | — | |
| SCHEMBL3682278 | 0.66 | CYP1A2 (0.47) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1697269-A2 | AQUEOUS COMPOSITION OF AN OLIGOMERIC FLUOROSILANE AND USE THEREOF FOR SURFACE TREATMENT OF OPTICAL ELEMENTS | 3M Innovative Properties Company (US) | 2006-09-06 | — | — | EP | disclosed |
| WO-2005068386-A2 | AQUEOUS COMPOSITION OF AN OLIGOMERIC FLUOROSILANE AND USE THEREOF FOR SURFACE TREATMENT OF OPTICAL ELEMENTS | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2005-07-28 | — | — | WO | disclosed |
| US-20050137266-A1 | Aqueous composition of an oligomeric fluorosilane and use thereof for surface treatment of optical elements | 3M INNOVATIVE PROPERTIES COMPANY | 2005-06-23 | — | — | US | disclosed |