⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6760212 | 1.00 | — | — | |
| SCHEMBL13039622 | 0.84 | GABRP (0.31) | — | |
| SCHEMBL410195 | 0.73 | — | — | |
| SCHEMBL4474378 | 0.73 | — | — | |
| SCHEMBL9511867 | 0.73 | — | — | |
| SCHEMBL6651428 | 0.70 | — | — | |
| SCHEMBL6651426 | 0.70 | — | — | |
| SCHEMBL7722568 | 0.67 | SLC1A3 (0.30) | — | |
| SCHEMBL27727038 | 0.67 | TP53 (0.38) | — | |
| SCHEMBL7722572 | 0.67 | SLC1A3 (0.30) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6723313-B2 | FRAGRANCE, AN AROMA, OR A FLAVORING AGENT FOR PERFUMES, DETERGENTS, SOAPS, CREAMS, SHAMPOOS, HAIR CONDITIONERS, FOODS | GIVAUDAN SA (CH) | 2004-04-20 | — | — | US | claimed |
| EP-1149820-B1 | 2-,5-,6-,7-,8-substituted oct-2-ene-4-one | GIVAUDAN SA (CH) | 2003-07-30 | — | — | EP | claimed |
| US-20020176838-A1 | 2-,5-,6-,7-,8-substituted oct-2-en-4-ones | GIVAUDAN SA | 2002-11-28 | — | — | US | claimed |
| EP-1149820-A1 | 2-,5-,6-,7-,8-substituted oct-2-ene-4-one | Givaudan SA (CH) | 2001-10-31 | — | — | EP | claimed |
| US-6723313-B2 | FRAGRANCE, AN AROMA, OR A FLAVORING AGENT FOR PERFUMES, DETERGENTS, SOAPS, CREAMS, SHAMPOOS, HAIR CONDITIONERS, FOODS | GIVAUDAN SA (CH) | 2004-04-20 | — | — | US | disclosed |
| EP-1149820-B1 | 2-,5-,6-,7-,8-substituted oct-2-ene-4-one | GIVAUDAN SA (CH) | 2003-07-30 | — | — | EP | disclosed |
| US-20020176838-A1 | 2-,5-,6-,7-,8-substituted oct-2-en-4-ones | GIVAUDAN SA | 2002-11-28 | — | — | US | disclosed |
| EP-1149820-A1 | 2-,5-,6-,7-,8-substituted oct-2-ene-4-one | Givaudan SA (CH) | 2001-10-31 | — | — | EP | disclosed |