SCHEMBL7848629

SCHEMBL7848629

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
SCHEMBL3137231 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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-113603592-A Preparation method of 2-methyl-4-acetoxyl-2-butenal with thermal stability 万华化学集团股份有限公司 2021-11-05 CN claimed
US-5344995-A Preparation of cyclic acetals of 3-formyl-2-butenyltriphenylphosphonium chloride BASF AKTIENGESELLSCHAFT (DE) 1994-09-06 US 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 disclosed
CN-113603592-A Preparation method of 2-methyl-4-acetoxyl-2-butenal with thermal stability 万华化学集团股份有限公司 2021-11-05 CN disclosed
EP-0775111-B1 STABLE VITAMIN A PROCTER & GAMBLE (US) 2001-08-29 EP disclosed
US-5648091-A TOCOPHEROL THE PROCTOR & GAMBLE COMPANY (US) 1997-07-15 US disclosed
EP-0775111-A1 STABLE VITAMIN A THE PROCTER & GAMBLE COMPANY (US) 1997-05-28 EP disclosed
WO-1996004243-A1 STABLE VITAMIN A THE PROCTER & GAMBLE COMPANY (US) 1996-02-15 WO disclosed
US-5426248-A Purified vitamin A which has been deodorized and degassed by controlled vacuum heating in absence of light and sparging with inert gas, for foods THE PROCTER & GAMBLE COMPANY (US) 1995-06-20 US disclosed
US-5344995-A Preparation of cyclic acetals of 3-formyl-2-butenyltriphenylphosphonium chloride BASF AKTIENGESELLSCHAFT (DE) 1994-09-06 US disclosed
US-4319048-A ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 1982-03-09 US disclosed
US-4284796-A Preparation of 4-acyloxy-2-methyl-crotonaldehydes BASF AKTIENGESELLSCHAFT (DE) 1981-08-18 US disclosed
US-4224244-A ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 1980-09-23 US disclosed
US-4215215-A 9-Phenyl-nonate traene compounds HOFFMANN-LA ROCHE INC. (US) 1980-07-29 US disclosed
US-4197411-A CHEMICAL INTERMEDIATES FOR SANDALWOOD OIL BASF AKTIENGESELLSCHAFT (DE) 1980-04-08 US disclosed
EP-0008581-A1 METHOD OF PREPARING E-4-ACETOXY-2-METHYL-2-BUTENAL BABLER, James, H. (US) 1980-03-05 EP disclosed
US-4175204-A Method of preparing E-4-acetoxy-2-methyl-2-butenal BABLER JAMES H 1979-11-20 US disclosed
WO-1979000485-A1 METHOD OF PREPARING E-4-ACETOXY-2-METHYL-2-BUTENAL BABLER J 1979-07-26 WO disclosed
US-4105681-A ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 1978-08-08 US disclosed