⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15064229 | 0.65 | — | — | |
| SCHEMBL12677139 | 0.61 | — | — | |
| SCHEMBL2380934 | 0.61 | — | — | |
| SCHEMBL720302 | 0.61 | — | — | |
| SCHEMBL910903 | 0.61 | — | — | |
| SCHEMBL19730169 | 0.59 | — | — | |
| SCHEMBL10582161 | 0.59 | — | — | |
| SCHEMBL718220 | 0.59 | — | — | |
| Hydrogen Sulfide SCHEMBL15657642 | 0.59 | — | — | |
| SCHEMBL1198966 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7572938-B2 | Precursors for ketones and aldehydes | GIVAUDAN SA (CH) | 2009-08-11 | — | — | US | disclosed |
| US-20040171516-A1 | Precursors for ketones and aldehydes | GIVAUDAN SA (CH) | 2004-09-02 | — | — | US | disclosed |
| EP-1390337-A1 | PRECURSORS FOR KETONES AND ALDEHYDES | Givaudan SA (CH) | 2004-02-25 | — | — | EP | disclosed |
| WO-2002096850-A1 | PRECURSORS FOR KETONES AND ALDEHYDES | GIVAUDAN SA (CH) | 2002-12-05 | — | — | WO | disclosed |