SCHEMBL3137231

SCHEMBL3137231

CC(=O)OC/C=C(\C)C=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
ALOX15 P16050 2/20 0.48
HSD17B10 Q99714 2/20 0.40
LMNA P02545 1/20 0.40
PTPN1 P18031 1/20 0.40
BTN3A1 O00481 1/20 0.37
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
SLCO1B3 Q9NPD5 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SLCO1B1 Q9Y6L6 1/20 0.35
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
PGR P06401 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
HTR1A P08908 1/20 0.33
CHRNB2 P17787 1/20 0.33

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
SCHEMBL7848629 1.00 ALDH1A1 (0.48) ALDH1A1ALOX15HSD17B10LMNAPTPN1
SCHEMBL3137233 1.00 ALDH1A1 (0.48) ALDH1A1ALOX15HSD17B10LMNAPTPN1
SCHEMBL8022947 0.84 ALDH1A1 (0.41) ALDH1A1ALOX15HSD17B10LMNAPTPN1
SCHEMBL11600807 0.82 ALDH1A1 (0.49) ALDH1A1ALOX15HSD17B10LMNAPTPN1
SCHEMBL11785322 0.82 ALDH1A1 (0.71) ALDH1A1ALOX15PTPN1
SCHEMBL1070989 0.82 ALDH1A1 (0.71) ALDH1A1ALOX15PTPN1
SCHEMBL11600809 0.82 ALDH1A1 (0.49) ALDH1A1ALOX15HSD17B10LMNAPTPN1
SCHEMBL1070992 0.82 ALDH1A1 (0.71) ALDH1A1ALOX15PTPN1
SCHEMBL13288245 0.81 ALDH1A1 (0.69) ALDH1A1ALOX15PTPN1
SCHEMBL6765418 0.80 NAAA (0.36) ALDH1A1ALOX15HSD17B10LMNABTN3A1

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 348 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115974690-B Preparation method of 4-acetoxyl-2-methyl-2-butene-1-aldehyde 广州智特奇生物科技股份有限公司 2025-06-13 CN claimed
CN-119977806-A Method for preparing 4-acetoxyl-2-methyl-2-butenal 浙江芳原馨生物医药有限公司 2025-05-13 CN claimed
CN-116082206-B Preparation method of vitamin A 万华化学集团股份有限公司 2025-02-18 CN claimed
CN-118684579-A Method for preparing 2-methyl-4-acetoxyl-2-butenal by one-step method 浙江芳原馨生物医药有限公司 2024-09-24 CN claimed
CN-114835577-B Aldehyde synthesis method 安徽智新生化有限公司 2024-04-19 CN claimed
WO-2023108327-A1 PREPARATION METHOD FOR LIGHT-COLORED VITAMIN A 万华化学集团股份有限公司 2023-06-22 WO claimed
CN-113603592-B Preparation method of 2-methyl-4-acetoxyl-2-butenal with thermal stability 万华化学集团股份有限公司 2023-05-30 CN claimed
CN-116082206-A Preparation method of vitamin A 万华化学集团股份有限公司 2023-05-09 CN claimed
CN-115974690-A Preparation method of 4-acetoxyl-2-methyl-2-butene-1-aldehyde 广州智特奇生物科技股份有限公司 2023-04-18 CN claimed
CN-114000170-B Method for preparing 4-acetoxyl-2-methyl-2-butene-1-aldehyde 万华化学集团股份有限公司 2023-03-24 CN claimed
CN-102391114-B Method for synthesizing n-decanal ester ANHUI WISDOM BIOCHEMICAL CO LTD 2014-03-12 CN claimed
EP-2665698-A1 PREPARATION OF 4-ACETOXY-2-METHYLBUTANAL BY CATALYTIC CARBON CARBON DOUBLE BOND HYDROGENATION DSM IP Assets B.V. (NL) 2013-11-27 EP claimed
WO-2012098067-A1 PREPARATION OF 4-ACETOXY-2-METHYLBUTANAL BY CATALYTIC CARBON CARBON DOUBLE BOND HYDROGENATION DSM IP ASSETS B.V. (NL) 2012-07-26 WO claimed
US-6018075-A BY REACTING GAMMA-BROMOTIGLIC ALDEHYDE OR GAMMA-CHLOROTIGLIC ALDEHYDE WITH SODIUM OR POTASSIUM ACETATE IN THE PRESENCE OF A PHASE TRANSFER CATALYST AND ORGANIC SOLVENT ROCHE VITAMINS INC. (US) 2000-01-25 US claimed
EP-0648735-B1 Preparation of an intermediate for vitamin A-acetate HOFFMANN LA ROCHE (CH) 1998-01-28 EP claimed
US-4254281-A Novel vitamin A acetate process HOFFMANN-LA ROCHE INC. (US) 1981-03-03 US claimed
EP-0008581-A1 METHOD OF PREPARING E-4-ACETOXY-2-METHYL-2-BUTENAL BABLER, James, H. (US) 1980-03-05 EP claimed
US-4175204-A Method of preparing E-4-acetoxy-2-methyl-2-butenal BABLER JAMES H 1979-11-20 US claimed
WO-1979000485-A1 METHOD OF PREPARING E-4-ACETOXY-2-METHYL-2-BUTENAL BABLER J 1979-07-26 WO claimed
US-4081470-A Manufacture of polyene compounds via a Wittig reaction in a two phase solvent system HOFFMAN-LA ROCHE INC. (US) 1978-03-28 US claimed