SCHEMBL7592282

SCHEMBL7592282

CC(=O)OCC(OC(C)=O)C(C)C=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.58
TSHR P16473 2/20 0.38
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
ALOX15 P16050 1/20 0.36
ABCB1 P08183 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 1/20 0.33
GALR3 O60755 1/20 0.33
BLM P54132 1/20 0.33
USP2 O75604 2/20 0.32
CYP3A4 P08684 2/20 0.32

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
SCHEMBL30088971 0.85 TDP1 (0.58) TDP1TSHRPOLBMAPK1TRPV1
SCHEMBL7150206 0.81 TDP1 (0.75) TDP1TSHRPOLBMAPK1TRPV1
SCHEMBL12846719 0.81 TDP1 (0.75) TDP1TSHRPOLBMAPK1TRPV1
SCHEMBL8723281 0.81 TDP1 (0.75) TDP1TSHRPOLBMAPK1TRPV1
SCHEMBL29285923 0.81 TDP1 (0.58) TDP1TSHRPOLBMAPK1TRPV1
SCHEMBL1369652 0.79 TDP1 (0.71) TDP1POLBMAPK1ABCB1
SCHEMBL28918266 0.78 TDP1 (0.55) TDP1TSHRPOLBMAPK1TRPV1
SCHEMBL4831682 0.77 TDP1 (0.58) TDP1TSHRPOLBMAPK1TRPV1
SCHEMBL2160609 0.77 TDP1 (0.58) TDP1TSHRPOLBMAPK1TRPV1
SCHEMBL258998 0.77 TDP1 (0.68) TDP1TSHRPOLBMAPK1TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-112920047-A Process for preparing 4-acetoxy-2-methyl-2-butene-1-aldehyde and intermediates thereof 江西天新药业股份有限公司 2021-06-08 CN claimed
CN-107286017-A A kind of preparation method of the aldehyde of 4 acetoxyl group, 2 methyl, 2 butylene 1 安徽智新生化有限公司 2017-10-24 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 disclosed
CN-116082206-B Preparation method of vitamin A 万华化学集团股份有限公司 2025-02-18 CN disclosed
CN-115594716-B Ligand for preparing branched aldehyde by catalyzing olefin hydroformylation reaction, preparation method and application thereof 万华化学集团股份有限公司 2024-01-09 CN disclosed
CN-117000307-A Rhodium-based multi-phase catalyst and method for catalyzing olefin hydroformylation to synthesize branched aldehyde by using same 兰州大学 2023-11-07 CN disclosed
CN-116082206-A Preparation method of vitamin A 万华化学集团股份有限公司 2023-05-09 CN disclosed
CN-116082206-A Preparation method of vitamin A 万华化学集团股份有限公司 2023-05-09 CN disclosed
CN-115594716-A Ligand for catalyzing olefin hydroformylation reaction to prepare branched chain aldehyde and preparation method and application thereof 万华化学集团股份有限公司(CN) 2023-01-13 CN disclosed
CN-112920047-A Process for preparing 4-acetoxy-2-methyl-2-butene-1-aldehyde and intermediates thereof 江西天新药业股份有限公司 2021-06-08 CN disclosed
CN-112920047-A Process for preparing 4-acetoxy-2-methyl-2-butene-1-aldehyde and intermediates thereof 江西天新药业股份有限公司 2021-06-08 CN disclosed
CN-107286017-A A kind of preparation method of the aldehyde of 4 acetoxyl group, 2 methyl, 2 butylene 1 安徽智新生化有限公司 2017-10-24 CN disclosed
CN-1116267-C Process for producing branched aldehydes KURARAY CO (JP) 2003-07-30 CN disclosed
EP-0867427-B1 Process for producing branched aldehydes KURARAY CO (JP) 2002-11-06 EP disclosed
US-5932761-A Process for producing branched aldehydes KURARAY CO., LTD. (JP) 1999-08-03 US disclosed
CN-1197788-A Process for producing branched aldehydes KURARAY CO (JP) 1998-11-04 CN disclosed
EP-0867427-A1 Process for producing branched aldehydes KURARAY CO., LTD. (JP) 1998-09-30 EP disclosed