⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2072561 | 1.00 | — | — | |
| SCHEMBL18092214 | 0.86 | — | — | |
| SCHEMBL1262747 | 0.80 | ALDH1A1 (0.39) | — | |
| SCHEMBL29883 | 0.80 | — | — | |
| SCHEMBL3389593 | 0.80 | — | — | |
| SCHEMBL18879239 | 0.80 | KDM1A (0.40) | — | |
| SCHEMBL30504827 | 0.79 | TSHR (0.36) | — | |
| SCHEMBL9858220 | 0.78 | — | — | |
| SCHEMBL23760609 | 0.78 | PTPN1 (0.32) | — | |
| SCHEMBL13676446 | 0.77 | — | — |
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-6156905-A | Deoxy epothilones and intermediates utilized in the process for preparing epothilones | NOVARTIS AG (CH) | 2000-12-05 | — | — | US | claimed |
| EP-0923583-A1 | METHOD FOR PRODUCING EPOTHILONES, AND INTERMEDIATE PRODUCTS OBTAINED DURING THE PRODUCTION PROCESS | Novartis AG (CH) | 1999-06-23 | — | — | EP | claimed |
| WO-1998008849-A1 | METHOD FOR PRODUCING EPOTHILONES, AND INTERMEDIATE PRODUCTS OBTAINED DURING THE PRODUCTION PROCESS | NOVARTIS AKTIENGESELLSCHAFT (CH) | 1998-03-05 | — | — | WO | claimed |
| CN-109956850-B | Process for producing 3, 7-dimethyl-7-octenyl alcohol and 3, 7-dimethyl-7-octenyl carboxylate compound | 信越化学工业株式会社 | 2022-06-21 | — | — | CN | disclosed |
| EP-3505506-B1 | METHOD FOR PRODUCING 3,7-DIMETHYL-7-OCTENOL AND METHOD FOR PRODUCING 3,7-DIMETHYL-7-OCTENYL CARBOXYLATE COMPOUND | SHINETSU CHEMICAL CO (JP) | 2021-02-03 | — | — | EP | disclosed |
| EP-3505506-A1 | METHOD FOR PRODUCING 3,7-DIMETHYL-7-OCTENOL AND METHOD FOR PRODUCING 3,7-DIMETHYL-7-OCTENYL CARBOXYLATE COMPOUND | Shin-Etsu Chemical Co., Ltd. (JP) | 2019-07-03 | — | — | EP | disclosed |
| CN-109956850-A | The production method of 3,7- dimethyl -7- matsutake alcohol and 3,7- dimethyl -7- octenyl carboxylate compound | 信越化学工业株式会社 | 2019-07-02 | — | — | CN | disclosed |
| US-20190194099-A1 | METHOD FOR PRODUCING 3,7-DIMETHYL-7-OCTENOL AND METHOD FOR PRODUCING 3,7-DIMETHYL-7-OCTENYL CARBOXYLATE COMPOUND | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2019-06-27 | — | — | US | disclosed |
| US-6156905-A | Deoxy epothilones and intermediates utilized in the process for preparing epothilones | NOVARTIS AG (CH) | 2000-12-05 | — | — | US | disclosed |
| US-6043372-A | USEFUL CHEMICAL INTERMEDIATES FOR ANTICARCINOGENIC EPITHILONES | NOVARTIS AG (CH) | 2000-03-28 | — | — | US | disclosed |
| US-5969145-A | Process for the production of epothilones and intermediate products within the process | NOVARTIS AG (CH) | 1999-10-19 | — | — | US | disclosed |
| EP-0000719-B1 | 1,4-EPOXY-TRIMETHYL-BUTENYLIDENE-CYCLOHEXANES (I), PROCESS FOR THEIR PREPARATION, USE OF (I) AS FRAGRANCE AND/OR FLAVOURING SUBSTANCE, FRAGRANCE AND/OR FLAVOUR COMPOSITIONS CONTAINING THE CYCLOHEXANES | L. Givaudan & Cie Société Anonyme (CH) | 1981-05-20 | — | — | EP | disclosed |
| EP-0012246-B1 | AROMATIC AND FLAVOURING SUBSTANCES, THEIR PREPARATION BY FERMENTATION, THEIR USE AND PRODUCTS CONTAINING THEM | L. Givaudan & Cie Société Anonyme (CH) | 1981-05-20 | — | — | EP | disclosed |
| US-4258071-A | 1,4-Epoxy-1,3,3-trimethyl-2-(2-buten-1-ylidene)cyclohexanes as flavorants | GIVAUDAN CORPORATION (US) | 1981-03-24 | — | — | US | disclosed |
| US-4250099-A | ODORS; FLAVORS; RING EXPANSION OF A 1-OXYALKYL- OR 1-HYDROXYALKYL-2-OXA(4.1.0)BICYCLOHEPTANE | GIVAUDAN CORPORATION (US) | 1981-02-10 | — | — | US | disclosed |
| US-4250062-A | 1,4-Epoxy-1,3,3-trimethyl-2-(2-buten-1-ylidene) cyclohexanes as odorants | GIVAUDAN CORPORATION (US) | 1981-02-10 | — | — | US | disclosed |
| US-4225501-A | ORGANOLEPTIC | GIVAUDAN CORPORATION (US) | 1980-09-30 | — | — | US | disclosed |
| EP-0012246-A1 | Aromatic and flavouring substances, their preparation by fermentation, their use and products containing them | L. Givaudan & Cie Société Anonyme (CH) | 1980-06-25 | — | — | EP | disclosed |
| EP-0003515-A1 | Megastigman-4,7-oxides(I) and 7-oxabicyclo(3,3,0)-octanes (II), process for the preparation of (I) and (II), use of (I) and (II) as fragrances and/or flavours, and fragrance and/or flavour compositions containing (I) or (II) | L. Givaudan & Cie Société Anonyme (CH) | 1979-08-22 | — | — | EP | disclosed |
| EP-0000719-A2 | 1,4-Epoxy-trimethyl-butenylidene-cyclohexanes (I), process for their preparation, use of (I) as fragrance and/or flavouring substance, fragrance and/or flavour compositions containing the cyclohexanes | L. Givaudan & Cie Société Anonyme (CH) | 1979-02-21 | — | — | EP | disclosed |