SCHEMBL9004869

SCHEMBL9004869

CCCCCC1=C(OC(=O)CC)CCC1=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
RECQL P46063 1/20 0.39
HIF1A Q16665 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CDC25A P30304 6/20 0.36
CDC25B P30305 6/20 0.36
CDC25C P30307 5/20 0.36
ALOX5 P09917 11/20 0.35
MPEG1 Q2M385 4/20 0.35

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
SCHEMBL4247967 0.86 ALDH1A1 (0.40) ALDH1A1LMNAPOLBRECQLHIF1A
SCHEMBL9004894 0.82 ALDH1A1 (0.39) ALDH1A1LMNAPOLBRECQLHIF1A
SCHEMBL2137246 0.78 ALDH1A1 (0.45) ALDH1A1TDP1ALOX5MPEG1
SCHEMBL27488484 0.76 ALDH1A1 (0.36) ALDH1A1LMNAPOLBRECQLHIF1A
SCHEMBL4954564 0.73 GAA (0.35) ALDH1A1LMNARECQLHIF1A
SCHEMBL2142693 0.71 ALDH1A1 (0.38) ALDH1A1LMNAPOLBRECQLHIF1A
SCHEMBL7175309 0.71 ALDH1A1 (0.38) NAAAALDH1A1LMNAPOLBRECQL
SCHEMBL8069818 0.71 ALOX5 (0.42) ALDH1A1LMNAPOLBRECQLHIF1A
SCHEMBL15115447 0.69 ALOX5 (0.45) ALDH1A1LMNAPOLBRECQLHIF1A
SCHEMBL15115450 0.69 ALOX5 (0.45) ALDH1A1LMNAPOLBRECQLHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117586119-A Synthesis method of 3-oxo-2-amyl-cyclopentenyl methyl acetate 浙江新化化工股份有限公司 2024-02-23 CN claimed
CN-109134251-A A kind of preparation method of 3- oxo -2- amyl-cyclopentenyl methyl acetate 泛亚(武汉)食品科技有限公司 2019-01-04 CN claimed
EP-0583564-B1 Process for the preparation of 3-oxo-2-pentyl-1-cyclopentene alkyl acetates FIRMENICH & CIE (CH) 1996-10-09 EP claimed
US-5302745-A Process for the preparation of alkyl 3-oxo-2-pentyl-1-cyclopentene acetates FIRMENICH S.A. (CH) 1994-04-12 US claimed
CN-117586119-A Synthesis method of 3-oxo-2-amyl-cyclopentenyl methyl acetate 浙江新化化工股份有限公司 2024-02-23 CN disclosed
CN-117586119-A Synthesis method of 3-oxo-2-amyl-cyclopentenyl methyl acetate 浙江新化化工股份有限公司 2024-02-23 CN disclosed
CN-117586119-A Synthesis method of 3-oxo-2-amyl-cyclopentenyl methyl acetate 浙江新化化工股份有限公司 2024-02-23 CN disclosed
CN-109134251-B Preparation method of 3-oxo-2-pentyl-cyclopentenyl methyl acetate 泛亚(武汉)食品科技有限公司 2021-07-13 CN disclosed
CN-109134251-B Preparation method of 3-oxo-2-pentyl-cyclopentenyl methyl acetate 泛亚(武汉)食品科技有限公司 2021-07-13 CN disclosed
CN-109134251-B Preparation method of 3-oxo-2-pentyl-cyclopentenyl methyl acetate 泛亚(武汉)食品科技有限公司 2021-07-13 CN disclosed
CN-109134251-A A kind of preparation method of 3- oxo -2- amyl-cyclopentenyl methyl acetate 泛亚(武汉)食品科技有限公司 2019-01-04 CN disclosed
CN-109134251-A A kind of preparation method of 3- oxo -2- amyl-cyclopentenyl methyl acetate 泛亚(武汉)食品科技有限公司 2019-01-04 CN disclosed
CN-109134251-A A kind of preparation method of 3- oxo -2- amyl-cyclopentenyl methyl acetate 泛亚(武汉)食品科技有限公司 2019-01-04 CN disclosed
US-5302745-A Process for the preparation of alkyl 3-oxo-2-pentyl-1-cyclopentene acetates FIRMENICH S.A. (CH) 1994-04-12 US disclosed