SCHEMBL28046739

SCHEMBL28046739

C=C(C)C(=O)OC(C)N(C)C.C=C(C)C(=O)OC(C)O

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
Acetic Acid SCHEMBL18298040 0.96 TSHR (0.36) TSHRALDH1A1
SCHEMBL14983 0.92 TSHR (0.43) TSHRALDH1A1
Ammonia Solution, Strong SCHEMBL5702351 0.90 TSHR (0.42) TSHRALDH1A1
Iodide SCHEMBL1302038 0.90 TSHR (0.42) TSHRALDH1A1
Methyl Alcohol SCHEMBL21326729 0.90 TSHR (0.42) TSHRALDH1A1
Hydrochloric Acid SCHEMBL129148 0.90 TSHR (0.42) TSHRALDH1A1
Fluoride SCHEMBL1303213 0.90 TSHR (0.42) TSHRALDH1A1
Bromide SCHEMBL1302921 0.90 TSHR (0.42) TSHRALDH1A1
Chloromethane SCHEMBL127391 0.88 TSHR (0.41) TSHRALDH1A1
Methylamine SCHEMBL29221187 0.88 TSHR (0.41) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105126633-A Method for preparing anion-exchange membrane by electrospinning UNIV SOUTHEAST 2015-12-09 CN disclosed