⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1206900 | 0.83 | GRM2 (0.30) | — | |
| SCHEMBL4933851 | 0.82 | — | — | |
| SCHEMBL167533 | 0.81 | — | — | |
| SCHEMBL4933857 | 0.78 | — | — | |
| SCHEMBL565428 | 0.76 | — | — | |
| SCHEMBL14860278 | 0.76 | — | — | |
| SCHEMBL14859876 | 0.74 | HSD11B1 (0.30) | — | |
| SCHEMBL3173540 | 0.73 | SLC6A4 (0.32) | — | |
| SCHEMBL14142587 | 0.71 | — | — | |
| SCHEMBL1518812 | 0.69 | APLNR (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1476788-A2 | FLUORINATED MOLECULES AND METHODS OF MAKING AND USING SAME | Honeywell International Inc. (US) | 2004-11-17 | — | — | EP | disclosed |
| WO-2003073169-A2 | FLUORINATED MOLECULES AND METHODS OF MAKING AND USING SAME | HONEYWELL INTERNATIONAL INC. (US) | 2003-09-04 | — | — | WO | disclosed |