Glycinebetaine

Glycinebetaine

SCHEMBL5491265

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

nearest known ligand 0.35

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 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
THRB P10828 1/20 0.33

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
SCHEMBL717202 0.87 TSHR (0.44) TSHRTHRB
Water SCHEMBL14917550 0.86 TSHR (0.42) TSHRTHRB
SCHEMBL7743449 0.81 THRB (0.49) TSHRTHRB
Glycinebetaine SCHEMBL5166113 0.80
Glycinebetaine SCHEMBL3971357 0.77 EPHX2 (0.43)
SCHEMBL38663359 0.74 TSHR (0.55) TSHRTHRB
SCHEMBL24214486 0.74 EPHX2 (0.43) TSHRTHRB
Betaine SCHEMBL20582629 0.73 TSHR (0.35) TSHR
SCHEMBL14980 0.73 TSHR (0.56) TSHRTHRB
SCHEMBL9321905 0.72 THRB (0.55) TSHRTHRB

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
EP-1768645-A1 COSMETIC COMPOSITIONS CONTAINING AT LEAST ONE CONDITIONING AGENT AND AT LEAST ONE ETHYLENE POLYMER WITH POLYETHYLENE GLYCOL GRAFTS L'OREAL, S.A. (FR) 2007-04-04 EP claimed
WO-2024003351-A1 USE OF POLYMER ADDITIVE COMPRISING ZWITTERIONIC MOIETIES IN PVDF MEMBRANES FOR INCREASING THE FLUX OF SAID MEMBRANES SOLVAY SA (BE) 2024-01-04 WO disclosed
WO-2024003352-A1 USE OF POLYMER ADDITIVE COMPRISING ZWITTERIONIC MOIETIES IN PVDF MEMBRANES FOR DECREASING THE TRANSMEMBRANE PRESSURE AT CONSTANT FLUX OF SAID MEMBRANES SOLVAY SA (BE) 2024-01-04 WO disclosed
WO-2021122628-A1 POLYMER ADDITIVE COMPRISING ZWITTERIONIC MOIETIES FOR PVDF BASED MEMBRANES SOLVAY SA (BE) 2021-06-24 WO disclosed
EP-3838387-A1 POLYMER ADDITIVE COMPRISING ZWITTERIONIC MOIETIES FOR PVDF BASED MEMBRANES Solvay SA (BE) 2021-06-23 EP disclosed