⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16614408 | 1.00 | — | — | |
| SCHEMBL18941574 | 1.00 | — | — | |
| SCHEMBL887174 | 0.90 | TRPA1 (0.55) | — | |
| SCHEMBL21808897 | 0.90 | TRPA1 (0.55) | — | |
| SCHEMBL4961081 | 0.90 | TRPA1 (0.55) | — | |
| SCHEMBL887175 | 0.90 | TRPA1 (0.55) | — | |
| SCHEMBL5571559 | 0.90 | TRPA1 (0.55) | — | |
| SCHEMBL21808896 | 0.90 | TRPA1 (0.55) | — | |
| SCHEMBL4962670 | 0.90 | TRPA1 (0.55) | — | |
| SCHEMBL3503768 | 0.90 | TRPA1 (0.55) | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-57011937-A | — | — | None | — | — | JP | disclosed |
| 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 |
| US-5652247-A | VASOPRESSIN ANTAGONIST | OTSUKA PHARMACEUTICAL CO., LTD (JP) | 1997-07-29 | — | — | US | disclosed |
| US-5436254-A | Vaopressin antagonists | OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) | 1995-07-25 | — | — | US | disclosed |
| EP-0602209-A1 | OXYTOCIN ANTAGONIST | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1994-06-22 | — | — | EP | disclosed |
| EP-0382185-B1 | Carbostyril derivatives | OTSUKA PHARMA CO LTD (JP) | 1994-06-15 | — | — | EP | disclosed |
| WO-1994001113-A1 | OXYTOCIN ANTAGONIST | OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) | 1994-01-20 | — | — | WO | disclosed |
| US-5225402-A | Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1993-07-06 | — | — | US | disclosed |
| EP-0382185-A2 | Carbostyril derivatives | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1990-08-16 | — | — | EP | disclosed |
| JP-S5711937-A | CIS-3,CIS-5-OCTADIENALS, THEIR PREPARATIONS AND USES | T HASEGAWA CO LTD | 1982-01-21 | — | — | JP | disclosed |
| JP-S05711937-A | — | — | 0001-01-01 | — | — | JP | disclosed |