Glycinebetaine

Glycinebetaine

SCHEMBL9505082

C=CC1C=CC=CN1CCCS(=O)(=O)O.C[N+](C)(C)CC(=O)[O-]

nearest known ligand 0.00

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.

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL8980249 0.86 APP (0.32)
SCHEMBL10430356 0.84 APP (0.32)
Water SCHEMBL27811237 0.84 APP (0.32)
SCHEMBL28671152 0.82 APP (0.32)
Glycinebetaine SCHEMBL9505098 0.81
Glycine SCHEMBL28849450 0.80 APP (0.33)
SCHEMBL27544372 0.77
Ammonia Solution, Strong SCHEMBL27984685 0.76
Glycinebetaine SCHEMBL7931121 0.71
SCHEMBL28667240 0.70 APP (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0250887-B1 INTERNALLY CROSSLINKED POLYMER MICROPARTICLES HAVING THREE-DIMENSIONAL NETWORK STRUCTURE Nippon Paint Co., Ltd. (JP) 1993-08-25 EP claimed
US-5064923-A CROSSLINKED POLYMER MICROPARTICLES DERIVED FROM BETAINE MONOMERS HAVING THREE-DIMENSIONAL NETWORK NIPPON PAINT CO., LTD. (JP) 1991-11-12 US claimed
EP-0250887-B1 INTERNALLY CROSSLINKED POLYMER MICROPARTICLES HAVING THREE-DIMENSIONAL NETWORK STRUCTURE Nippon Paint Co., Ltd. (JP) 1993-08-25 EP disclosed
US-5064923-A CROSSLINKED POLYMER MICROPARTICLES DERIVED FROM BETAINE MONOMERS HAVING THREE-DIMENSIONAL NETWORK NIPPON PAINT CO., LTD. (JP) 1991-11-12 US disclosed