⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11676817 | 0.77 | CASP1 (0.30) | — | |
| SCHEMBL620772 | 0.73 | — | — | |
| SCHEMBL810510 | 0.73 | — | — | |
| SCHEMBL14122246 | 0.73 | GABBR2 (0.31) | — | |
| Water SCHEMBL542921 | 0.71 | — | — | |
| SCHEMBL7204706 | 0.69 | — | — | |
| SCHEMBL28345582 | 0.69 | — | — | |
| SCHEMBL14121431 | 0.68 | ANPEP (0.30) | — | |
| SCHEMBL571466 | 0.68 | LMNA (0.48) | — | |
| SCHEMBL1366068 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20050188697-A1 | Fluorinated ketone and fluorinated ethers as working fluids for thermal energy conversion | HONEYWELL CORPORATION | 2005-09-01 | — | — | US | claimed |
| US-20050188697-A1 | Fluorinated ketone and fluorinated ethers as working fluids for thermal energy conversion | HONEYWELL CORPORATION | 2005-09-01 | — | — | US | disclosed |
| US-20050188697-A1 | Fluorinated ketone and fluorinated ethers as working fluids for thermal energy conversion | HONEYWELL CORPORATION | 2005-09-01 | — | — | US | disclosed |