SCHEMBL25435705

SCHEMBL25435705

C=C(C)C(=O)OCCN(C)C.C=C(C)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM5 P08912 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRNB2 P17787 1/20 0.47
CHRM3 P20309 1/20 0.47
CHRNA4 P43681 1/20 0.47
TSHR P16473 3/20 0.46
TDP1 Q9NUW8 2/20 0.44
PHLPP2 Q6ZVD8 1/20 0.40
DNM1 Q05193 1/20 0.39
BCHE P06276 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 1/20 0.36

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
Methylamine SCHEMBL29221186 0.92 CHRM2 (0.50) THRBCHRM2CHRM4CHRM5CHRM1
SCHEMBL14984 0.92 CHRM2 (0.54) THRBCHRM2CHRM4CHRM5CHRM1
SCHEMBL28671752 0.92 CHRM2 (0.54) THRBCHRM2CHRM4CHRM5CHRM1
Methylamine SCHEMBL28734138 0.91 THRB (0.48) THRBCHRM2CHRM4CHRM5CHRM1
Iodide SCHEMBL1254951 0.90 CHRM2 (0.52) THRBCHRM2CHRM4CHRM5CHRM1
Ammonia Solution, Strong SCHEMBL8139148 0.90 CHRM2 (0.52) THRBCHRM2CHRM4CHRM5CHRM1
SCHEMBL11650326 0.90 CHRM2 (0.52) THRBCHRM2CHRM4CHRM5CHRM1
Methyl Alcohol SCHEMBL21326731 0.90 CHRM2 (0.52) THRBCHRM2CHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL129149 0.90 CHRM2 (0.52) THRBCHRM2CHRM4CHRM5CHRM1
SCHEMBL31757144 0.90 CHRM2 (0.52) THRBCHRM2CHRM4CHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023171668-A1 COMPOSITE MATERIAL, PRODUCTION METHOD FOR COMPOSITE MATERIAL, AND TERMINAL DOWAメタルテック株式会社 2023-09-14 WO disclosed
CN-110446758-A expandable silica particles UNILEVER PLC 2019-11-12 CN disclosed
CN-104220577-B Improvements relating to fabric conditioners 荷兰联合利华有限公司 2017-12-08 CN disclosed
CN-105111725-B A kind of antimicrobial form anion flexible polyurethane foams and preparation method thereof 福建越特新材料科技有限公司 2017-08-25 CN disclosed
CN-105111391-B A kind of preparation method of antibacterial plastic anionic additive 福建越特新材料科技有限公司 2017-07-04 CN disclosed
CN-105111391-A Preparation method of antibacterial negative-ion plastic additive FUJIAN YUETE NEW MATERIAL TECHNOLOGY CO LTD 2015-12-02 CN disclosed
CN-105111725-A Antibacterial and soft negative-ion polyurethane foam and preparation method thereof FUJIAN YUETE NEW MATERIAL TECHNOLOGY CO LTD 2015-12-02 CN disclosed