SCHEMBL28462121

SCHEMBL28462121

CC1CCCC(OC(=O)C2OCOCO2)(C(C)C)C1

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 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
SCHEMBL28495590 0.80 CYP1A2 (0.31) CYP1A2
SCHEMBL27814124 0.78 CYP1A2 (0.40) CYP1A2
SCHEMBL28005450 0.76 CYP1A2 (0.38) CYP1A2
SCHEMBL3804865 0.76 CYP1A2 (0.38) CYP1A2
SCHEMBL7964537 0.73 CYP1A2 (0.36) CYP1A2
SCHEMBL8966109 0.73 CYP1A2 (0.36) CYP1A2
SCHEMBL80008 0.72 CYP1A2 (0.39) CYP1A2
SCHEMBL26620596 0.72 CYP1A2 (0.39) CYP1A2
SCHEMBL27983235 0.70 CYP1A2 (0.35) CYP1A2
SCHEMBL22283479 0.69 LMNA (0.40) CYP1A2

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
CN-107847772-B Pharmaceutical composition containing polyalkylene glycol derivative 西姆莱斯股份公司 2022-01-04 CN claimed
CN-108366932-B Method for inhibiting or masking fishy smell 西姆莱斯股份公司 2022-03-15 CN disclosed
CN-109475490-B Hair care composition containing wheat bran extract 西姆莱斯股份公司 2021-11-30 CN disclosed
CN-112041176-A System and method for printing and drying flavors and fragrances 国际香料和香精公司 2020-12-04 CN disclosed
CN-107410304-B Compositions comprising benzyl alcohol derivatives and other antimicrobially active compounds 西姆莱斯有限公司 2020-06-12 CN disclosed