⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29001937 | 0.97 | ALDH1A1 (0.46) | — | |
| SCHEMBL5544171 | 0.85 | ALDH1A1 (0.56) | — | |
| SCHEMBL21518308 | 0.84 | ALDH1A1 (0.48) | — | |
| SCHEMBL21986674 | 0.83 | ALDH1A1 (0.54) | — | |
| SCHEMBL20212042 | 0.83 | ALDH1A1 (0.43) | — | |
| SCHEMBL9540458 | 0.82 | — | — | |
| SCHEMBL9540463 | 0.82 | — | — | |
| SCHEMBL31509614 | 0.81 | ALDH1A1 (0.52) | — | |
| SCHEMBL10726944 | 0.80 | ALDH1A1 (0.59) | — | |
| SCHEMBL587661 | 0.80 | THRB (0.57) | — |
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 470 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116135835-B | Method for preparing chiral 3-acetoxymethyl-2, 2-dimethylcyclopropane carboxylic ester | 中国科学院大连化学物理研究所 | 2025-02-25 | — | — | CN | claimed |
| CN-117384035-A | Production method of caronic acid | 南通天泽化工有限公司 | 2024-01-12 | — | — | CN | claimed |
| CN-117263799-A | Production method of 3, 3-dimethyl-4-methyl pentenoate | 南通天泽化工有限公司 | 2023-12-22 | — | — | CN | claimed |
| CN-116135835-A | Method for preparing chiral 3-acetoxymethyl-2, 2-dimethylcyclopropane carboxylic ester | 中国科学院大连化学物理研究所 | 2023-05-19 | — | — | CN | claimed |
| CN-115463042-A | Deodorant comprising zinc neodecanoate | 奇华顿股份有限公司 | 2022-12-13 | — | — | CN | claimed |
| CN-109922778-B | Deodorant comprising zinc neodecanoate | 奇华顿股份有限公司 | 2022-07-29 | — | — | CN | claimed |
| CN-108940278-B | Method for preparing prenol through prenyl acetate transesterification reaction | 中国科学院大连化学物理研究所 | 2021-06-08 | — | — | CN | claimed |
| CN-108927171-B | Catalyst for preparing isopentenol by transesterification of isopentenyl acetate and application thereof | 中国科学院大连化学物理研究所 | 2021-04-09 | — | — | CN | claimed |
| CN-112321432-A | Method for preparing isoamylene acetate by taking acetic acid and isoprene as raw materials | 浙江师范大学 | 2021-02-05 | — | — | CN | claimed |
| US-10774345-B2 | Compositions and methods for producing isoprene free of c5 hydrocarbons under decoupling conditions and/or safe operating ranges | DANISCO US INC. (US) | 2020-09-15 | — | — | US | claimed |
| US-20110040058-A1 | POLYMERIZATION OF ISOPRENE FROM RENEWABLE RESOURCES | THE GOODYEAR TIRE & RUBBER COMPANY | 2011-02-17 | — | — | US | claimed |
| WO-2010148144-A1 | POLYMERIZATION OF ISOPRENE FROM RENEWABLE RESOURCES | DANISCO US INC. (US) | 2010-12-23 | — | — | WO | claimed |
| US-20100180491-A1 | Host Cells and Methods for Producing Isoprenyl Alkanoates | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2010-07-22 | — | — | US | claimed |
| US-20100113846-A1 | CONVERSION OF PRENYL DERIVATIVES TO ISOPRENE | THE GOODYEAR TIRE & RUBBER COMPANY | 2010-05-06 | — | — | US | claimed |
| WO-2010031076-A2 | CONVERSION OF PRENYL DERIVATIVES TO ISOPRENE | DANISCO US INC. (US) | 2010-03-18 | — | — | WO | claimed |
| WO-2010003007-A2 | COMPOSITIONS AND METHODS FOR PRODUCING ISOPRENE FREE OF C5 HYDROCARBONS UNDER DECOUPLING CONDITIONS AND/OR SAFE OPERATING RANGES | DANISCO US INC. (US) | 2010-01-07 | — | — | WO | claimed |
| WO-2009006386-A2 | HOST CELLS AND METHODS FOR PRODUCING ISOPRENYL ALKANOATES | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2009-01-08 | — | — | WO | claimed |
| WO-2007083164-A2 | LIQUID ELECTROSTATIC SPRAY COMPOSITION | AERSTREAM TECHNOLOGY LIMITED (GB) | 2007-07-26 | — | — | WO | claimed |
| US-4205125-A | Process for the production of coenzyme Q | Aida, Ko (JP) | 1980-05-27 | — | — | US | claimed |
| US-4022823-A | ESTERS-FORMALS OF 3-METHYLENE-1,5-PENTANEDIOL, NITRIC ACID, NITROGEN DIOXIDE | CHEVRON RESEARCH COMPANY (US) | 1977-05-10 | — | — | US | claimed |