Glycinebetaine

Glycinebetaine

SCHEMBL21084282

CS(=O)(=O)O.C[N+](C)(C)CC(=O)[O-].NCC(=O)O

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

BHMTBHMT2

The experimentally established mechanism targets of Glycinebetaine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
APEX1 P27695 1/20 0.41
GLRA1 P23415 1/20 0.39
SLC6A9 P48067 1/20 0.39
OR51E2 Q9H255 1/20 0.39
CPT2 P23786 1/20 0.33
CPT1A P50416 1/20 0.33
BBOX1 O75936 1/20 0.31
SLC22A16 Q86VW1 1/20 0.31
KDM4E B2RXH2 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CRAT P43155 1/20 0.30
POLB P06746 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
Glycinebetaine SCHEMBL75899 0.90 TSHR (0.52) TSHRALDH1A1LMNAAPEX1GLRA1
Glycinebetaine SCHEMBL18301505 0.88 TSHR (0.50) TSHRALDH1A1LMNAAPEX1GLRA1
Glycinebetaine SCHEMBL618945 0.88 TSHR (0.50) TSHRALDH1A1LMNAAPEX1GLRA1
Glycinebetaine SCHEMBL4541516 0.81 TSHR (0.40) TSHRALDH1A1LMNAAPEX1GLRA1
Glycinebetaine SCHEMBL3513638 0.81 TSHR (0.40) TSHRALDH1A1LMNAAPEX1CPT2
Glycinebetaine SCHEMBL6894104 0.81 TSHR (0.43) TSHRALDH1A1LMNAAPEX1CPT2
Glycinebetaine SCHEMBL28110612 0.79 TSHR (0.42) TSHRALDH1A1LMNAAPEX1CPT2
Glycine SCHEMBL3674731 0.78 GLRA1 (0.62) TSHRLMNAAPEX1GLRA1SLC6A9
Glycine SCHEMBL20494486 0.78 GLRA1 (0.62) TSHRLMNAAPEX1GLRA1SLC6A9
Glycinebetaine SCHEMBL20298304 0.78 TSHR (0.40) TSHRALDH1A1LMNAAPEX1GLRA1

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
US-11339353-B2 Acidic hard surface cleaner with glycine betaine ester S.C. JOHNSON & SON, INC. (US) 2022-05-24 US disclosed
US-20190203157-A1 ACIDIC HARD SURFACE CLEANER WITH GLYCINE BETAINE ESTER S. C. JOHNSON & SON, INC. (US) 2019-07-04 US disclosed