⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29166180 | 0.83 | — | — | |
| SCHEMBL29166161 | 0.82 | — | — | |
| SCHEMBL29166958 | 0.80 | — | — | |
| SCHEMBL5485864 | 0.79 | — | — | |
| SCHEMBL4121582 | 0.73 | CA2 (0.36) | — | |
| SCHEMBL28627726 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL3316054 | 0.72 | TSHR (0.44) | — | |
| SCHEMBL5489265 | 0.72 | — | — | |
| SCHEMBL6128368 | 0.72 | CA2 (0.39) | — | |
| Ammonia Solution, Strong SCHEMBL28922936 | 0.71 | ALDH1A1 (0.30) | — |
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-1961797-B1 | Aqueous compositions and processes including fluorocarbons | ROHM & HAAS (US) | 2013-11-13 | — | — | EP | disclosed |
| US-20080206469-A1 | Aqueous compositions and processes including fluorocarbons | BROWNELL ARNOLD STAN | 2008-08-28 | — | — | US | disclosed |
| EP-1961797-A2 | Aqueous compositions and processes including fluorocarbons | Rohm and Haas Company (US) | 2008-08-27 | — | — | EP | disclosed |