⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4295447 | 0.75 | RARG (0.32) | — | |
| SCHEMBL9167268 | 0.68 | — | — | |
| SCHEMBL2014128 | 0.67 | RXRA (0.33) | — | |
| SCHEMBL4436755 | 0.67 | — | — | |
| SCHEMBL9381411 | 0.67 | — | — | |
| SCHEMBL2407290 | 0.65 | — | — | |
| SCHEMBL1655554 | 0.65 | — | — | |
| SCHEMBL1950914 | 0.65 | — | — | |
| SCHEMBL2411405 | 0.64 | — | — | |
| SCHEMBL1468020 | 0.62 | RXRA (0.39) | — |
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 9 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 | claimed |
| US-20040171516-A1 | Precursors for ketones and aldehydes | GIVAUDAN SA (CH) | 2004-09-02 | — | — | US | claimed |
| EP-1262473-A1 | Precursors for fragrant ketones and fragrant aldehydes | Givaudan SA (CH) | 2002-12-04 | — | — | EP | claimed |
| US-9480259-B2 | Pyrazolopyrans having herbicidal and pharmaceutical properties | BASF SE (DE) | 2016-11-01 | — | — | US | disclosed |
| US-20150126371-A1 | PYRAZOLOPYRANS HAVING HERBICIDAL AND PHARMACEUTICAL PROPERTIES | BASF SE (DE) | 2015-05-07 | — | — | US | disclosed |
| 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-1262473-A1 | Precursors for fragrant ketones and fragrant aldehydes | Givaudan SA (CH) | 2002-12-04 | — | — | EP | disclosed |
| EP-0176034-B1 | DIARYL ACETYLENES, THEIR PREPARATION AND USE | BASF Aktiengesellschaft (DE) | 1989-08-30 | — | — | EP | disclosed |