Alpha-Ionone

Alpha-Ionone

SCHEMBL5591022

CC(=O)C=C[C@H]1C(C)=CCCC1(C)C

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.71
CYP3A4 P08684 1/20 0.71
ALOX15 P16050 1/20 0.71
TDP1 Q9NUW8 1/20 0.71
KDM4E B2RXH2 1/20 0.55
GAA P10253 1/20 0.55
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41

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
Alpha-Ionone SCHEMBL112671 1.00 ALDH1A1 (0.71) ALDH1A1CYP3A4ALOX15TDP1KDM4E
Alpha-Ionone SCHEMBL5590917 1.00 ALDH1A1 (0.71) ALDH1A1CYP3A4ALOX15TDP1KDM4E
Alpha-Ionone SCHEMBL5590918 1.00 ALDH1A1 (0.71) ALDH1A1CYP3A4ALOX15TDP1KDM4E
Alpha-Ionone SCHEMBL5591019 1.00 ALDH1A1 (0.71) ALDH1A1CYP3A4ALOX15TDP1KDM4E
Alpha-Ionone SCHEMBL112670 1.00 ALDH1A1 (0.71) ALDH1A1CYP3A4ALOX15TDP1KDM4E
Alpha-Ionone SCHEMBL901102 1.00 ALDH1A1 (0.71) ALDH1A1CYP3A4ALOX15TDP1KDM4E
Alpha-Ionone SCHEMBL19816175 0.98 ALDH1A1 (0.69) ALDH1A1CYP3A4ALOX15TDP1KDM4E
SCHEMBL954796 0.87 ALDH1A1 (0.71) ALDH1A1CYP3A4ALOX15TDP1KDM4E
SCHEMBL14566205 0.87 ALDH1A1 (0.71) ALDH1A1CYP3A4ALOX15TDP1KDM4E
SCHEMBL954794 0.87 ALDH1A1 (0.71) ALDH1A1CYP3A4ALOX15TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160207765-A1 HYDROGEN GENERATOR, AND HYDROGEN GENERATION CONTAINER TAKEHARA TAKASHI (JP) 2016-07-21 US claimed
US-20190161348-A1 HYDROGEN GENERATOR, AND HYDROGEN GENERATION CONTAINER TAKEHARA TAKASHI (JP) 2019-05-30 US disclosed
US-10287163-B2 Hydrogen generation container with air-permeable and water-impermeable films TAKEHARA TAKASHI (JP) 2019-05-14 US disclosed
US-20160207765-A1 HYDROGEN GENERATOR, AND HYDROGEN GENERATION CONTAINER TAKEHARA TAKASHI (JP) 2016-07-21 US disclosed
JP-2007077226-A FLAVOR AND FRAGRANCE COMPOSITION TAKASAGO INTERNATL CORP 2007-03-29 JP disclosed