⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13038050 | 0.76 | THRB (0.30) | — | |
| SCHEMBL10599765 | 0.72 | — | — | |
| SCHEMBL11800238 | 0.69 | LMNA (0.33) | — | |
| SCHEMBL4395034 | 0.66 | — | — | |
| SCHEMBL10884685 | 0.65 | — | — | |
| SCHEMBL18944397 | 0.63 | THRB (0.36) | — | |
| SCHEMBL11211919 | 0.63 | — | — | |
| SCHEMBL21987118 | 0.62 | — | — | |
| SCHEMBL12753026 | 0.62 | — | — | |
| SCHEMBL51195 | 0.61 | — | — |
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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3953614-A | 4,7-Dihydro-2-(3-pentyl)-1,3-dioxepin as a flavorant | GIVAUDAN CORPORATION (US) | 1976-04-27 | — | — | US | claimed |
| CN-110891615-B | System and method for selecting and releasing fragrance | 阿甘香气及精细化学有限公司 | 2022-08-05 | — | — | CN | disclosed |
| US-10006151-B2 | Polyurethane fiber | TORAY OPELONTEX CO., LTD. (JP) | 2018-06-26 | — | — | US | disclosed |
| EP-2947185-B1 | POLYURETHANE FIBER AND ITS USE | TORAY OPELONTEX CO LTD (JP) | 2018-02-28 | — | — | EP | disclosed |
| US-9358191-B2 | Deodorant composition | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2016-06-07 | — | — | US | disclosed |
| US-20160002827-A1 | POLYURETHANE FIBER | TORAY OPELONTEX CO., LTD. (JP) | 2016-01-07 | — | — | US | disclosed |
| EP-2947185-A1 | POLYURETHANE FIBER | Toray Opelontex Co., Ltd (JP) | 2015-11-25 | — | — | EP | disclosed |
| US-8961946-B2 | Hair processing agent and method for permanent waving hair | SHOWA DENKO K.K. (JP) | 2015-02-24 | — | — | US | disclosed |
| US-20140271522-A1 | DEODORANT COMPOSITION | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2014-09-18 | — | — | US | disclosed |
| US-8778320-B2 | Deodorant composition | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2014-07-15 | — | — | US | disclosed |
| EP-1753851-A1 | USE OF 2-(1,1,4-TRIMETHYLPENT-3-ENYL)-4,7-DIHYDRO-1,3-DIOXEPINE | Symrise GmbH & Co. KG (DE) | 2007-02-21 | — | — | EP | disclosed |
| US-20060165622-A1 | Deodorant composition | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2006-07-27 | — | — | US | disclosed |
| WO-2005103213-A1 | USE OF 2-(1,1,4-TRIMETHYLPENT-3-ENYL)-4,7-DIHYDRO-1,3-DIOXEPINE | SYMRISE GMBH & CO. KG (DE) | 2005-11-03 | — | — | WO | disclosed |
| EP-1561476-A1 | DEODORANT COMPOSITION | Takasago International Corporation (JP) | 2005-08-10 | — | — | EP | disclosed |
| EP-0278020-B1 | 2-SUBSTITUTED 4,4,7,7-TETRAMETHYL-1,3-DIOXACYCLOHEPTANES, THEIR PREPARATION AND USE AS PARFUMES | BASF Aktiengesellschaft (DE) | 1989-05-24 | — | — | EP | disclosed |
| US-3953614-A | 4,7-Dihydro-2-(3-pentyl)-1,3-dioxepin as a flavorant | GIVAUDAN CORPORATION (US) | 1976-04-27 | — | — | US | disclosed |
| US-3953614-A | 4,7-Dihydro-2-(3-pentyl)-1,3-dioxepin as a flavorant | GIVAUDAN CORPORATION (US) | 1976-04-27 | — | — | US | disclosed |
| US-3953614-A | 4,7-Dihydro-2-(3-pentyl)-1,3-dioxepin as a flavorant | GIVAUDAN CORPORATION (US) | 1976-04-27 | — | — | US | disclosed |
| US-3905919-A | Cyclic acetal perfume composition | GIVAUDAN CORPORATION | 1975-09-16 | — | — | US | disclosed |
| US-3822291-A | 4,7-DIHYDRO-2-(3-PENTYL)-1,3-DIOXEPIN | GIVAUDAN CORP | 1974-07-02 | — | — | US | disclosed |