⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8151108 | 0.72 | — | — | |
| SCHEMBL4846829 | 0.71 | — | — | |
| SCHEMBL2463415 | 0.69 | — | — | |
| SCHEMBL4652507 | 0.67 | — | — | |
| SCHEMBL566552 | 0.65 | — | — | |
| SCHEMBL2471421 | 0.65 | — | — | |
| SCHEMBL2118974 | 0.62 | — | — | |
| SCHEMBL4856022 | 0.60 | THRB (0.39) | — | |
| SCHEMBL4854369 | 0.60 | — | — | |
| SCHEMBL8151355 | 0.60 | ALDH1A1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2077285-A1 | FLUORINATED ELASTOMER FOR MOLDING OF FUEL LINE COMPONENT, AND COMPOSITION COMPRISING THE SAME | Unimatec Co., Ltd. (JP) | 2009-07-08 | — | — | EP | disclosed |