⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23143480 | 0.86 | — | — | |
| SCHEMBL28439127 | 0.86 | — | — | |
| SCHEMBL28171123 | 0.84 | — | — | |
| SCHEMBL14245257 | 0.84 | — | — | |
| SCHEMBL5483684 | 0.84 | — | — | |
| SCHEMBL14245448 | 0.84 | — | — | |
| SCHEMBL28166890 | 0.84 | — | — | |
| SCHEMBL28171996 | 0.84 | — | — | |
| SCHEMBL27461623 | 0.83 | THRB (0.31) | — | |
| SCHEMBL29016880 | 0.81 | — | — |
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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116490160-A | A mixture containing 1, 2-alkanediol | 西姆莱斯股份公司 | 2023-07-25 | — | — | CN | claimed |
| CN-106690401-B | Cigarette composition quality trends analysis method based on volatility characteristics component in pipe tobacco | 云南中烟工业有限责任公司 | 2018-01-30 | — | — | CN | claimed |
| CN-106690401-A | Cigarette formula quality trend analysis method based on volatile characteristic components in cut tobacco | 云南中烟工业有限责任公司 | 2017-05-24 | — | — | CN | claimed |
| CN-102083823-B | The preparation method of 1-Biphenylmethyl imidazole compound | DAIICHI SANKYO Co.,Ltd. (JP) | 2015-10-07 | — | — | CN | claimed |
| CN-114080380-B | 2- (2, 4, 5-Trimethylcyclohex-2-en-1-yl) acetaldehyde and derivatives and their use as fragrance chemicals | 巴斯夫欧洲公司 | 2024-05-28 | — | — | CN | disclosed |
| CN-111164078-B | Fragrance chemical composition comprising 3, 5-diethyl-2-propyl-tetrahydropyran and/or unsaturated derivatives thereof | 巴斯夫欧洲公司 | 2024-04-16 | — | — | CN | disclosed |
| CN-117413043-A | Use of 5-methyl-5- (4-methyl-3-penten-1-yl) -2 (5H) -furanone as an aroma chemical | 巴斯夫欧洲公司 | 2024-01-16 | — | — | CN | disclosed |
| CN-113166006-B | Dodeca-4, 8, 11-trien-1-ol and its use as an aroma chemical | 巴斯夫欧洲公司 | 2023-09-26 | — | — | CN | disclosed |
| CN-116490160-A | A mixture containing 1, 2-alkanediol | 西姆莱斯股份公司 | 2023-07-25 | — | — | CN | disclosed |
| CN-116018346-A | Seco-ambergris acetals | 西姆莱斯有限公司 | 2023-04-25 | — | — | CN | disclosed |
| CN-114930204-A | Infrared light cut filter, filter for solid-state imaging element, and method for manufacturing filter for solid-state imaging element | 凸版印刷株式会社 | 2022-08-19 | — | — | CN | disclosed |
| WO-2021145456-A1 | INFRARED BLOCKING FILTER, FILTER FOR SOLID-STATE IMAGING ELEMENT, SOLID-STATE IMAGING ELEMENT, AND METHOD FOR PRODUCING FILTER FOR SOLID-STATE IMAGING ELEMENT | 凸版印刷株式会社 | 2021-07-22 | — | — | WO | disclosed |
| CN-101744738-A | 4-alkyl substituted pyridines as olfactory substances | SYMRISE GMBH & CO KG | 2010-06-23 | — | — | CN | disclosed |
| CN-101475468-A | Method for preparing aliphatic alcohol ester by diphosphonic acid catalysis | JIANGSU INST OF NUCLEAR MED (CN) | 2009-07-08 | — | — | CN | disclosed |
| CN-100360494-C | Esters and their use in perfumery | GIVAUDAN SA (CH) | 2008-01-09 | — | — | CN | disclosed |
| CN-1705631-A | Esters and their use in perfumery | GIVAUDAN SA (CH) | 2005-12-07 | — | — | CN | disclosed |
| CN-1668729-A | Fragrance composition | GIVAUDAN SA (CH) | 2005-09-14 | — | — | CN | disclosed |
| CN-1184900-C | Flavouring composition | GIVAUDAN CO LTD (CH) | 2005-01-19 | — | — | CN | disclosed |
| US-6451458-B1 | ALTERNATE COPOLYMER OF A HOLE TRANSFER MONOMER AND AN ELECTRON TRANSFER MONOMER; HOLE TRANSFER MONOMER IS A CARBAZOLE DERIVATIVE; ELECTRON TRANSFER MONOMER IS AN OXADIAZOLE DERIVATIVE | JSR CORPORATION (JP) | 2002-09-17 | — | — | US | disclosed |
| CN-1312026-A | Flavouring composition | GIVAUDAN CO LTD (CH) | 2001-09-12 | — | — | CN | disclosed |