Vanillin

Vanillin

SCHEMBL11269339

COc1cc(C=O)ccc1O.[NaH]

nearest known ligand 0.96

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.96
HPGD P15428 2/20 0.96
TDP1 Q9NUW8 2/20 0.96
TRIM24 O15164 1/20 0.96
ALDH5A1 P51649 1/20 0.96
ABAT P80404 1/20 0.96
TRIM33 Q9UPN9 1/20 0.96
AOX1 Q06278 1/20 0.70
XDH P47989 1/20 0.67
TSHR P16473 3/20 0.66
TRPA1 O75762 1/20 0.65
TYR P14679 2/20 0.62
NFE2L2 Q16236 3/20 0.62
CYP2D6 P10635 3/20 0.62
ALOX5 P09917 3/20 0.62
CYP1A2 P05177 3/20 0.62
NFKB1 P19838 2/20 0.62
HSD11B1 P28845 2/20 0.62
STAT3 P40763 2/20 0.62
NFKB2 Q00653 2/20 0.62

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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.

Compoundsimilaritytop predictedshared targets
Vanillin SCHEMBL1213 0.98 ALDH1A1 (1.00) ALDH1A1HPGDTDP1TRIM24ALDH5A1
Vanillin SCHEMBL29354839 0.98 ALDH1A1 (1.00) ALDH1A1HPGDTDP1TRIM24ALDH5A1
Vanillin SCHEMBL720723 0.98 ALDH1A1 (1.00) ALDH1A1HPGDTDP1TRIM24ALDH5A1
Vanillin SCHEMBL19149274 0.96 ALDH1A1 (0.96) ALDH1A1HPGDTDP1TRIM24ALDH5A1
Vanillin SCHEMBL2907529 0.96 ALDH1A1 (0.96) ALDH1A1HPGDTDP1TRIM24ALDH5A1
Vanillin SCHEMBL8853913 0.96 ALDH1A1 (0.96) ALDH1A1HPGDTDP1TRIM24ALDH5A1
Vanillin SCHEMBL19411839 0.96 ALDH1A1 (0.96) ALDH1A1HPGDTDP1TRIM24ALDH5A1
Vanillin SCHEMBL8854077 0.96 ALDH1A1 (0.96) ALDH1A1HPGDTDP1TRIM24ALDH5A1
Vanillin SCHEMBL20549709 0.96 ALDH1A1 (0.96) ALDH1A1HPGDTDP1TRIM24ALDH5A1
Vanillin SCHEMBL4442606 0.96 ALDH1A1 (0.96) ALDH1A1HPGDTDP1TRIM24ALDH5A1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115784863-A Preparation method of vanillin 万华化学集团股份有限公司 2023-03-14 CN claimed
CN-112402529-A Sodium vanillin capable of adjusting sleep and improving sleep quality and preparation process thereof 上海滴丝生物科技有限公司 2021-02-26 CN claimed
CN-115784863-B Preparation method of vanillin 万华化学集团股份有限公司 2024-04-09 CN disclosed
CN-115784863-B Preparation method of vanillin 万华化学集团股份有限公司 2024-04-09 CN disclosed
CN-117185910-A Eugenol vanillin and preparation method thereof 武穴坤悦生物科技有限公司 2023-12-08 CN disclosed
CN-115784863-A Preparation method of vanillin 万华化学集团股份有限公司 2023-03-14 CN disclosed
CN-115784863-A Preparation method of vanillin 万华化学集团股份有限公司 2023-03-14 CN disclosed
CN-214370799-U Can change intelligent fragrant ware that volatilizees of holding of fragrance according to air conditioner mode 上海滴丝生物科技有限公司 2021-10-08 CN disclosed
CN-112402529-A Sodium vanillin capable of adjusting sleep and improving sleep quality and preparation process thereof 上海滴丝生物科技有限公司 2021-02-26 CN disclosed
CN-112402529-A Sodium vanillin capable of adjusting sleep and improving sleep quality and preparation process thereof 上海滴丝生物科技有限公司 2021-02-26 CN disclosed
CN-112110807-A Method for synthesizing vanillin by oxidizing eugenol with ozone 成都三香汇香料有限公司 2020-12-22 CN disclosed
CN-108477228-B Antibacterial and anti-mite agent for bedding and preparation method thereof 广州广微环境科技有限公司 2020-09-15 CN disclosed
CN-106029627-B Method for isolating mandelic compounds in salified form and use thereof for preparing aromatic aldehydes 罗地亚经营管理公司 2020-02-28 CN disclosed
CN-105712859-B Centrifugal extraction method of isovanillin 中国石油天然气股份有限公司 2018-02-02 CN disclosed
CN-105712859-A Centrifugal extraction method of isovanillin 中国石油天然气股份有限公司 2016-06-29 CN disclosed
CN-103254048-A Method for separating and purifying isovanillin crude product PETROCHINA CO LTD 2013-08-21 CN disclosed
CN-1017047-B Extracting agent for extracting vanillin sodium salt from alkaline solution PERFUME INDUSTRY SCIENCE INST (CN) 1992-06-17 CN disclosed
US-4366036-A Additive and alkaline zinc electroplating bath and process using same OCCIDENTAL CHEMICAL CORPORATION (US) 1982-12-28 US disclosed