⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8006065 | 1.00 | — | — | |
| SCHEMBL18941617 | 0.95 | ALDH1A1 (0.40) | — | |
| SCHEMBL18941615 | 0.95 | ALDH1A1 (0.40) | — | |
| SCHEMBL1608253 | 0.93 | TSHR (0.42) | — | |
| SCHEMBL18941616 | 0.93 | TSHR (0.42) | — | |
| SCHEMBL1608250 | 0.93 | TSHR (0.42) | — | |
| SCHEMBL18941548 | 0.93 | TSHR (0.42) | — | |
| SCHEMBL18941618 | 0.93 | TSHR (0.42) | — | |
| SCHEMBL18941566 | 0.93 | TSHR (0.42) | — | |
| SCHEMBL18941489 | 0.93 | TSHR (0.42) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3386319-A1 | FRAGRANCE AND FLAVOR COMPOSITIONS CONTAINING ISOMERIC ALKADIENALS OR ISOMERIC ALKADIENENITRILES | Bedoukian Research, Inc. (US) | 2018-10-17 | — | — | EP | claimed |
| US-10035972-B2 | Fragrance and flavor compositions containing isomeric alkadienals or isomeric alkadienenitriles | BEDOUKIAN RESEARCH, INC. (US) | 2018-07-31 | — | — | US | claimed |
| WO-2017100426-A1 | FRAGRANCE AND FLAVOR COMPOSITIONS CONTAINING ISOMERIC ALKADIENALS OR ISOMERIC ALKADIENENITRILES | BEDOUKIAN RESEARCH, INC. (US) | 2017-06-15 | — | — | WO | claimed |
| US-20170166836-A1 | FRAGRANCE AND FLAVOR COMPOSITIONS CONTAINING ISOMERIC ALKADIENALS OR ISOMERIC ALKADIENENITRILES | BEDOUKIAN RESEARCH, INC. (US) | 2017-06-15 | — | — | US | claimed |
| WO-2000024705-A1 | DIENE NITRILE AND ITS USE IN FRAGRANCES | QUEST INTERNATIONAL B.V. (NL) | 2000-05-04 | — | — | WO | claimed |
| EP-3386319-A1 | FRAGRANCE AND FLAVOR COMPOSITIONS CONTAINING ISOMERIC ALKADIENALS OR ISOMERIC ALKADIENENITRILES | Bedoukian Research, Inc. (US) | 2018-10-17 | — | — | EP | disclosed |
| US-10035972-B2 | Fragrance and flavor compositions containing isomeric alkadienals or isomeric alkadienenitriles | BEDOUKIAN RESEARCH, INC. (US) | 2018-07-31 | — | — | US | disclosed |
| WO-2017100426-A1 | FRAGRANCE AND FLAVOR COMPOSITIONS CONTAINING ISOMERIC ALKADIENALS OR ISOMERIC ALKADIENENITRILES | BEDOUKIAN RESEARCH, INC. (US) | 2017-06-15 | — | — | WO | disclosed |
| US-20170166836-A1 | FRAGRANCE AND FLAVOR COMPOSITIONS CONTAINING ISOMERIC ALKADIENALS OR ISOMERIC ALKADIENENITRILES | BEDOUKIAN RESEARCH, INC. (US) | 2017-06-15 | — | — | US | disclosed |
| WO-2000024705-A1 | DIENE NITRILE AND ITS USE IN FRAGRANCES | QUEST INTERNATIONAL B.V. (NL) | 2000-05-04 | — | — | WO | disclosed |
| WO-2000024705-A1 | DIENE NITRILE AND ITS USE IN FRAGRANCES | QUEST INTERNATIONAL B.V. (NL) | 2000-05-04 | — | — | WO | disclosed |
| US-4320071-A | CATALYTIC DISPROPORTIONATION | PHILLIPS PETROLEUM COMPANY (US) | 1982-03-16 | — | — | US | disclosed |