SCHEMBL28077637

SCHEMBL28077637

C=C(C)C(=O)OCCC[N+](C)(C)C.[SiH4]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.56
THRB P10828 1/20 0.48
CHRM5 P08912 5/20 0.48
CHRM1 P11229 5/20 0.48
CHRM3 P20309 5/20 0.48
CHRM2 P08172 4/20 0.45
CHRM4 P08173 4/20 0.45
CHRNB2 P17787 3/20 0.45
CHRNA7 P36544 3/20 0.45
CHRNA4 P43681 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HTR1A P08908 2/20 0.45
PGR P06401 1/20 0.45
TBXA2R P21731 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA10 Q9GZZ6 1/20 0.45
CHRNA9 Q9UGM1 1/20 0.45
GALR3 O60755 2/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL202124 0.98 TSHR (0.58) TSHRTHRBCHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL352728 0.98 TSHR (0.58) TSHRTHRBCHRM5CHRM1CHRM3
Fluoride Ion SCHEMBL1255065 0.96 TSHR (0.56) TSHRTHRBCHRM5CHRM1CHRM3
Iodide SCHEMBL1254986 0.96 TSHR (0.56) TSHRTHRBCHRM5CHRM1CHRM3
Bromide SCHEMBL1255402 0.96 TSHR (0.56) TSHRTHRBCHRM5CHRM1CHRM3
Ethylene Glycol SCHEMBL27993451 0.95 TSHR (0.51) TSHRTHRBCHRM5CHRM1CHRM3
Iodide SCHEMBL27827606 0.93 TSHR (0.53) TSHRTHRBCHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL1254017 0.92 TSHR (0.61) TSHRTHRBCHRM5CHRM1CHRM3
SCHEMBL21195079 0.92 TSHR (0.61) TSHRTHRBCHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL23607540 0.91 TSHR (0.65) TSHRTHRBCHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103827154-B For the preparation of the method for aqueous polymer dispersions 巴斯夫欧洲公司 2016-06-08 CN claimed
CN-103827154-B For the preparation of the method for aqueous polymer dispersions 巴斯夫欧洲公司 2016-06-08 CN disclosed