⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1784391 | 0.86 | — | — | |
| SCHEMBL2797212 | 0.72 | — | — | |
| SCHEMBL9557432 | 0.71 | — | — | |
| SCHEMBL21875774 | 0.71 | ALDH1A1 (0.32) | — | |
| SCHEMBL19924611 | 0.71 | ALDH1A1 (0.32) | — | |
| SCHEMBL21581849 | 0.71 | ALDH1A1 (0.32) | — | |
| SCHEMBL115614 | 0.71 | ALDH1A1 (0.32) | — | |
| SCHEMBL21175066 | 0.71 | ALDH1A1 (0.32) | — | |
| SCHEMBL6400426 | 0.67 | ACE2 (0.36) | — | |
| SCHEMBL4613562 | 0.66 | ALDH1A1 (0.33) | — |
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 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118130691-A | Method for detecting characteristic components of typical aroma in main stream smoke of cigarettes | 上海烟草集团有限责任公司 | 2024-06-04 | — | — | CN | claimed |
| CN-114518421-B | Analysis method for smoke sweet component in saliva of smoker's mouth | 上海烟草集团有限责任公司 | 2024-03-22 | — | — | CN | claimed |
| CN-114409519-A | Method for synthesizing cis-jasmone | 江苏宏邦化工科技有限公司 | 2022-04-29 | — | — | CN | claimed |
| CN-112028757-B | Preparation method of 3-methyl-2-cyclopentene-1-ketone | 乐威医药（江苏）股份有限公司 | 2022-04-05 | — | — | CN | claimed |
| CN-111217657-B | Method for synthesizing methyl cyclopentadiene from 3-methyl-2-cyclopentene-1-ketone | 中国科学院大连化学物理研究所 | 2021-04-30 | — | — | CN | claimed |
| CN-112028757-A | Preparation method of 3-methyl-2-cyclopentene-1-ketone | 乐威医药（江苏）股份有限公司 | 2020-12-04 | — | — | CN | claimed |
| CN-111217657-A | Method for synthesizing methyl cyclopentadiene from 3-methyl-2-cyclopentene-1-ketone | 中国科学院大连化学物理研究所 | 2020-06-02 | — | — | CN | claimed |
| CN-101821331-B | Water-absorbing resin composition and process for production of the same | NIPPON CATALYTIC CHEM IND | 2012-11-14 | — | — | CN | claimed |
| CN-101213962-B | Organic acid herbicidal composition | UNIV ZHEJIANG FORESTRY | 2011-04-27 | — | — | CN | claimed |
| CN-101213962-A | Organic acid herbicidal composition | UNIV ZHEJIANG FORESTRY (CN) | 2008-07-09 | — | — | CN | claimed |
| CN-101194607-A | Herbicide composition | UNIV ZHEJIANG FORESTRY (CN) | 2008-06-11 | — | — | CN | claimed |
| CN-118130691-A | Method for detecting characteristic components of typical aroma in main stream smoke of cigarettes | 上海烟草集团有限责任公司 | 2024-06-04 | — | — | CN | disclosed |
| CN-118032974-A | Method for determining ketone aroma components in tobacco and tobacco products by GC-MS/MS | 云南省烟草质量监督检测站 | 2024-05-14 | — | — | CN | disclosed |
| CN-118032973-A | Method for determining ketone fragrance components in cigarette smoke by GC-MS/MS | 云南省烟草质量监督检测站 | 2024-05-14 | — | — | CN | disclosed |
| CN-114315504-B | Method for preparing methyl cyclopentadiene by catalyzing AxByOz type composite metal oxide | 中国科学院大连化学物理研究所 | 2023-02-28 | — | — | CN | disclosed |
| CN-1672599-A | Cigarette with dobble-layer of cigarette paper | YUNNAN INST OF TOBACCO SCIENCE (CN) | 2005-09-28 | — | — | CN | disclosed |
| CN-1203082-C | Novel multinuclear half metallocene catalyst and preparation of styrene polymer using the same | LG CHEMICAL LTD (KR) | 2005-05-25 | — | — | CN | disclosed |
| CN-1464879-A | Novel multinuclear half metallocene catalyst and preparation of styrene polymer using the same | LG CHEMICAL LTD (KR) | 2003-12-31 | — | — | CN | disclosed |
| CN-1348459-A | Heterocyclic metallocene compounds and their use in catalyst systems for producing olefin polymers | BASELL TECHNOLOGY CO BV (NL) | 2002-05-08 | — | — | CN | disclosed |
| CN-1216522-A | Therapeutic agent for diabetes | JAPAN TOBACCO INC (JP) | 1999-05-12 | — | — | CN | disclosed |