⚠ 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 | |
|---|---|---|---|---|
| Butanone SCHEMBL28106488 | 0.94 | ALDH1A1 (0.59) | — | |
| Butanone SCHEMBL28437516 | 0.87 | — | — | |
| Butanone SCHEMBL9281749 | 0.84 | — | — | |
| Butanone SCHEMBL8663620 | 0.84 | ALDH1A1 (0.69) | — | |
| Butanone SCHEMBL1129513 | 0.83 | — | — | |
| Butanone SCHEMBL9717568 | 0.83 | — | — | |
| Butanone SCHEMBL9717565 | 0.83 | — | — | |
| Butanone SCHEMBL8209740 | 0.82 | — | — | |
| Butanone SCHEMBL77322 | 0.82 | — | — | |
| Butanone SCHEMBL1510153 | 0.82 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115517516-A | Moisture-removing breathable down quilt and preparation method thereof | 江苏斯得福纺织股份有限公司 | 2022-12-27 | — | — | CN | disclosed |
| EP-0580308-B1 | Working fluid composition for refrigeration machine | KAO CORP (JP) | 2000-11-15 | — | — | EP | disclosed |
| US-5395544-A | Ester-containing working fluid composition for refrigerating machine | KAO CORPORATION (JP) | 1995-03-07 | — | — | US | disclosed |
| EP-0580308-A1 | Working fluid composition for refrigeration machine | KAO CORPORATION (JP) | 1994-01-26 | — | — | EP | disclosed |