SCHEMBL9726371

SCHEMBL9726371

C=C1C(C)=CCCC1(C)C

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.30

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
SCHEMBL10885577 0.75 CYP3A4 (0.32) CYP3A4
SCHEMBL2996151 0.71 CYP3A4 (0.37) CYP3A4
SCHEMBL18940951 0.67
Acetaldehyde SCHEMBL11315470 0.60 ALDH1A1 (0.30) CYP3A4
SCHEMBL25227879 0.59 TDP1 (0.35) CYP3A4
SCHEMBL13057886 0.59
SCHEMBL11607730 0.59 ALDH1A1 (0.34)
SCHEMBL9325088 0.59 CYP1A2 (0.32)
SCHEMBL18511867 0.59
SCHEMBL9719356 0.58

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-104730154-B A kind of discrimination method of active ingredient in burmannii flowers volatile oil 石家庄以岭药业股份有限公司 2018-09-25 CN claimed
WO-2017051302-A1 COMPOSITION AND METHOD FOR CONTROLLING A BEE PEST OR DISEASE INTERNATIONAL CENTRE OF INSECT PHYSIOLOGY AND ECOLOGY (KE) 2017-03-30 WO claimed
CN-104730154-A Cinnamomum burmannii flower volatile oil effective component identification method SHIJIAZHUANG YILING PHARMACEUTICAL CO LTD 2015-06-24 CN claimed
CN-114668824-B Application of alpinia zerumbet essential oil 昆明理工大学 2023-08-01 CN disclosed
CN-110632207-B Method for identifying mold based on volatile gas components and evolution trend thereof 南京财经大学 2022-04-29 CN disclosed
CN-113287740-A Preparation method and application of pleurotus eryngii sauce 山西农业大学 2021-08-24 CN disclosed
CN-111738548-A Jasmine tea aroma quality evaluation method and application thereof 福建省农业科学院农业生物资源研究所 2020-10-02 CN disclosed
CN-110632207-A Method for identifying mold based on volatile gas components and evolution trend thereof 南京财经大学 2019-12-31 CN disclosed
CN-104730154-B A kind of discrimination method of active ingredient in burmannii flowers volatile oil 石家庄以岭药业股份有限公司 2018-09-25 CN disclosed
WO-2017051302-A1 COMPOSITION AND METHOD FOR CONTROLLING A BEE PEST OR DISEASE INTERNATIONAL CENTRE OF INSECT PHYSIOLOGY AND ECOLOGY (KE) 2017-03-30 WO disclosed
CN-105248074-A Organic plantation method of Yao medicine Herba Piperis Tonkinensis JINXIU YAO AUTONOMOUS COUNTY YAO MEDICINE HOSPITAL 2016-01-20 CN disclosed
CN-104730154-A Cinnamomum burmannii flower volatile oil effective component identification method SHIJIAZHUANG YILING PHARMACEUTICAL CO LTD 2015-06-24 CN disclosed
CN-101468054-A Wild chrysanthemum effective component composition, preparation method and use thereof as well as medicinal preparation containing the same SHANGHAI LEI YUN SHANG TECHNOL (CN) 2009-07-01 CN disclosed
US-5175373-A PROCESS FOR PREPARING CYCLOCITRAL RHONE-POULENC NUTRITION ANIMALE (FR) 1992-12-29 US disclosed