SCHEMBL4237197

SCHEMBL4237197

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
TDP1 Q9NUW8 3/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
RECQL P46063 1/20 0.46
HIF1A Q16665 1/20 0.46
SCD O00767 1/20 0.45
CDC25A P30304 7/20 0.44
CDC25B P30305 7/20 0.44
CDC25C P30307 6/20 0.44
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 1/20 0.36
AKR1B1 P15121 1/20 0.35
PPARG P37231 4/20 0.34
PPARD Q03181 4/20 0.34
PPARA Q07869 4/20 0.34
TSHR P16473 3/20 0.34

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
SCHEMBL11864836 0.88 ALDH1A1 (0.41) ALDH1A1TDP1LMNAPOLBRECQL
Lithium Ion SCHEMBL8677043 0.84 GPR84 (0.46) ALDH1A1TDP1LMNAPOLBRECQL
SCHEMBL2142693 0.83 ALDH1A1 (0.38) ALDH1A1TDP1LMNAPOLBRECQL
SCHEMBL7175309 0.83 ALDH1A1 (0.38) ALDH1A1TDP1LMNAPOLBRECQL
SCHEMBL7187409 0.82 SCD (0.40) ALDH1A1TDP1LMNAPOLBRECQL
SCHEMBL4297676 0.81 ALDH1A1 (0.40) ALDH1A1TDP1LMNAPOLBRECQL
SCHEMBL4441878 0.80 ALDH1A1 (0.39) ALDH1A1TDP1LMNAPOLBRECQL
SCHEMBL2399155 0.77 ALDH1A1 (0.37) ALDH1A1TDP1LMNAPOLBRECQL
Acetic Acid SCHEMBL9004888 0.77 ALDH1A1 (0.42) ALDH1A1TDP1LMNAPOLBRECQL
SCHEMBL28484221 0.76 ALDH1A1 (0.42) ALDH1A1TDP1LMNAPOLBRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111892493-A Method for synthesizing dihydrojasmone 万香科技股份有限公司 2020-11-06 CN claimed
CN-109516905-A The preparation method of inexpensive dihydro jasmone 盐城市春竹香料有限公司 2019-03-26 CN claimed
EP-0920354-B1 RUTHENIUM CATALYSTS AND THEIR USE IN THE ASYMMETRIC HYDROGENATION OF WEAKLY COORDINATING SUBSTRATES FIRMENICH & CIE (CH) 2003-12-03 EP claimed
EP-0920354-A1 RUTHENIUM CATALYSTS AND THEIR USE IN THE ASYMMETRIC HYDROGENATION OF WEAKLY COORDINATING SUBSTRATES FIRMENICH SA (CH) 1999-06-09 EP claimed
EP-0810903-B1 RUTHENIUM CATALYSTS AND USE THEREOF IN ASYMMETRICAL CYCLOPENTENONE HYDROGENATION FIRMENICH & CIE (CH) 1999-05-26 EP claimed
WO-1998052687-A1 RUTHENIUM CATALYSTS AND THEIR USE IN THE ASYMMETRIC HYDROGENATION OF WEAKLY COORDINATING SUBSTRATES FIRMENICH S.A. (CH) 1998-11-26 WO claimed
EP-0715615-B1 METHOD FOR PREPARING (+)-(1R)-CIS-3-OXO-2-PENTYL-1-CYCLOPENTANEACETIC ACID FIRMENICH & CIE (CH) 1998-10-07 EP claimed
EP-0810903-A1 RUTHENIUM CATALYSTS AND USE THEREOF IN ASYMMETRICAL CYCLOPENTENONE HYDROGENATION FIRMENICH SA (CH) 1997-12-10 EP claimed
WO-1997018894-A1 RUTHENIUM CATALYSTS AND USE THEREOF IN ASYMMETRICAL CYCLOPENTENONE HYDROGENATION FIRMENICH S.A. (CH) 1997-05-29 WO claimed
CN-111892493-A Method for synthesizing dihydrojasmone 万香科技股份有限公司 2020-11-06 CN disclosed
CN-111892493-A Method for synthesizing dihydrojasmone 万香科技股份有限公司 2020-11-06 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
EP-3184504-A1 METHODS OF PREPARING ALPHA,BETA-UNSATURATED OR ALPHA-HALO KETONES AND ALDEHYDES International Flavors & Fragrances Inc. (US) 2017-06-28 EP disclosed
EP-1900720-B1 PROCESS FOR PRODUCTION OF SUBSTITUTED CYCLOPENTANONE ASAHI KASEI CHEMICALS CORP (JP) 2012-06-13 EP disclosed
EP-0810903-A1 RUTHENIUM CATALYSTS AND USE THEREOF IN ASYMMETRICAL CYCLOPENTENONE HYDROGENATION FIRMENICH SA (CH) 1997-12-10 EP disclosed
WO-1997018894-A1 RUTHENIUM CATALYSTS AND USE THEREOF IN ASYMMETRICAL CYCLOPENTENONE HYDROGENATION FIRMENICH S.A. (CH) 1997-05-29 WO disclosed
EP-0715615-A1 METHOD FOR PREPARING (+)-(1R)-CIS-3-OXO-2-PENTYL-1-CYCLOPENTANEACETIC ACID FIRMENICH SA (CH) 1996-06-12 EP disclosed
WO-1996000206-A1 METHOD FOR PREPARING (+)-(1R)-CIS-3-OXO-2-PENTYL-1-CYCLOPENTANEACETIC ACID FIRMENICH S.A. (CH) 1996-01-04 WO disclosed
US-3978108-A CIS METHYL DIHYDROJASMONATE S.A. DES ETABLISSEMENTS ROURE-BERTRAND FILS & JUSTIN DUPONT (FR) 1976-08-31 US disclosed
US-3978108-A CIS METHYL DIHYDROJASMONATE S.A. DES ETABLISSEMENTS ROURE-BERTRAND FILS & JUSTIN DUPONT (FR) 1976-08-31 US disclosed