⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10097973 | 0.71 | TLR9 (0.31) | — | |
| SCHEMBL10098277 | 0.59 | — | — | |
| SCHEMBL10097070 | 0.57 | — | — | |
| SCHEMBL10098275 | 0.53 | TLR7 (0.30) | — | |
| SCHEMBL704797 | 0.51 | SLC6A4 (0.30) | — | |
| SCHEMBL10097032 | 0.50 | — | — | |
| SCHEMBL24486700 | 0.50 | — | — | |
| SCHEMBL3645316 | 0.48 | LMNA (0.35) | — | |
| SCHEMBL11389982 | 0.45 | — | — | |
| SCHEMBL13593989 | 0.45 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8124196-B2 | Fluorobicyclo[2.2.2]octane compound, method of producing the same, and applications thereof | FUJIFILM CORPORATION (JP) | 2012-02-28 | — | — | US | disclosed |
| US-20100231844-A1 | FLUOROBICYCLO[2.2.2]OCTANE COMPOUND, METHOD OF PRODUCING THE SAME, AND APPLICATIONS THEREOF | FUJIFILM CORPORATION (JP) | 2010-09-16 | — | — | US | disclosed |