⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5697651 | 1.00 | — | — | |
| SCHEMBL18599154 | 0.85 | — | — | |
| SCHEMBL4859442 | 0.85 | — | — | |
| SCHEMBL17383915 | 0.84 | — | — | |
| SCHEMBL6826196 | 0.79 | — | — | |
| SCHEMBL6936316 | 0.78 | TRPA1 (0.31) | — | |
| SCHEMBL11596229 | 0.75 | — | — | |
| SCHEMBL1408472 | 0.72 | — | — | |
| SCHEMBL1408474 | 0.72 | — | — | |
| SCHEMBL2293948 | 0.69 | — | — |
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 120 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115677469-B | Citral with excellent fragrance and preparation method thereof | 万华化学集团股份有限公司 | 2024-04-09 | — | — | CN | claimed |
| CN-112225655-B | Preparation method of citral | 万华化学集团营养科技有限公司 | 2024-02-27 | — | — | CN | claimed |
| CN-112619692-B | Supported catalyst, preparation method thereof and application thereof in citral preparation | 山东新和成药业有限公司 | 2023-04-07 | — | — | CN | claimed |
| CN-115677469-A | Citral with excellent fragrance and preparation method thereof | 万华化学集团股份有限公司 | 2023-02-03 | — | — | CN | claimed |
| CN-114773168-A | Method for synthesizing cis/trans-prenyl-3-methyl butadiene ether by using methyl butynol and isopentenol | 江苏宏邦化工科技有限公司 | 2022-07-22 | — | — | CN | claimed |
| CN-114621442-A | Novel silane-terminated polysulfide rubber and synthesis method thereof | 郑州恩德富新材料科技有限公司 | 2022-06-14 | — | — | CN | claimed |
| CN-108291109-B | Coating composition | 巴斯夫欧洲公司 | 2021-07-09 | — | — | CN | claimed |
| CN-112619692-A | Supported catalyst, preparation method thereof and application thereof in citral preparation | 山东新和成药业有限公司 | 2021-04-09 | — | — | CN | claimed |
| CN-112225655-A | Preparation method of citral | 万华化学集团股份有限公司 | 2021-01-15 | — | — | CN | claimed |
| CN-108117484-B | Preparation method of citral | 万华化学集团股份有限公司 | 2020-11-20 | — | — | CN | claimed |
| CN-106977383-B | Method for preparing citral | 万华化学集团股份有限公司 | 2020-04-10 | — | — | CN | claimed |
| WO-2008037693-A1 | CONTINUOUS METHOD FOR PRODUCING CITRAL | BASF SE (DE) | 2008-04-03 | — | — | WO | claimed |
| EP-0992477-B1 | Process for the preparation of citral | BASF AG (DE) | 2003-02-05 | — | — | EP | claimed |
| US-6175044-B1 | THERMAL CLEAVAGE IN THE PRESENCE OR ABSENCE OF AN ACID CATALYST | BASF AKTIENGESELLSCHAFT (DE) | 2001-01-16 | — | — | US | claimed |
| EP-0992477-A1 | Process for the preparation of citral | BASF AKTIENGESELLSCHAFT (DE) | 2000-04-12 | — | — | EP | claimed |
| EP-0249365-A2 | Photocatalysts for vinyl compounds activated by an electron donating hetero atom | LOCTITE (IRELAND) Ltd. (IE) | 1987-12-16 | — | — | EP | claimed |
| US-4073811-A | Process for the preparation of aldehydes | HOFFMANN-LA ROCHE INC. (US) | 1978-02-14 | — | — | US | claimed |
| EP-4709517-A1 | MIXED GUERBET REACTION OF ETHANOL AND METHANOL TO PRODUCE ISOBUTANOL | BASF SE (DE) | 2026-03-18 | — | — | EP | disclosed |
| US-4016212-A | Process for the preparation of aldehydes | HOFFMANN-LA ROCHE INC. (US) | 1977-04-05 | — | — | US | disclosed |
| US-4016212-A | Process for the preparation of aldehydes | HOFFMANN-LA ROCHE INC. (US) | 1977-04-05 | — | — | US | disclosed |