⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL328114 | 0.91 | — | — | |
| SCHEMBL13898520 | 0.67 | MEN1 (0.33) | — | |
| SCHEMBL13898347 | 0.63 | MEN1 (0.30) | — | |
| Methyl Alcohol SCHEMBL819598 | 0.57 | MEN1 (0.39) | — | |
| SCHEMBL328088 | 0.56 | MEN1 (0.33) | — | |
| SCHEMBL13035989 | 0.54 | — | — | |
| SCHEMBL15898579 | 0.54 | — | — | |
| SCHEMBL14119240 | 0.54 | — | — | |
| SCHEMBL15898028 | 0.54 | — | — | |
| SCHEMBL903707 | 0.54 | — | — |
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-2039672-A1 | FLUORINE-CONTAINING COMPOUND HAVING HIGHLY FLUORINATED NORBORNANE STRUCTURE, FLUORINE-CONTAINING POLYMER, AND THEIR PRODUCTION METHODS | Asahi Glass Company, Limited (JP) | 2009-03-25 | — | — | EP | disclosed |