⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6761907 | 1.00 | — | — | |
| SCHEMBL154654 | 0.74 | — | — | |
| SCHEMBL18316484 | 0.74 | — | — | |
| SCHEMBL17627651 | 0.74 | — | — | |
| SCHEMBL154656 | 0.74 | — | — | |
| SCHEMBL6761885 | 0.74 | — | — | |
| SCHEMBL154655 | 0.74 | — | — | |
| SCHEMBL6762913 | 0.72 | — | — | |
| SCHEMBL6761880 | 0.72 | — | — | |
| SCHEMBL6761877 | 0.72 | — | — |
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 5 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 |
| 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 |
| US-20020176838-A1 | 2-,5-,6-,7-,8-substituted oct-2-en-4-ones | GIVAUDAN SA | 2002-11-28 | — | — | US | disclosed |