Glycinebetaine

Glycinebetaine

SCHEMBL4853035

CCC(=O)O.COCCN(C)C.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 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
ALDH1A1 P00352 4/20 0.34
LMNA P02545 1/20 0.34
APEX1 P27695 1/20 0.34
BBOX1 O75936 4/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRM3 P20309 1/20 0.33
CHRNA4 P43681 1/20 0.33
MEN1 O00255 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
FFAR3 O14843 1/20 0.31
DNM1 Q05193 1/20 0.31
MAPT P10636 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
Propionic Acid SCHEMBL5026941 0.83 FFAR3 (0.46) TSHRALDH1A1LMNACHRM2CHRM4
Glycinebetaine SCHEMBL1134658 0.80 BBOX1 (0.32) TSHRBBOX1
Glycinebetaine SCHEMBL8772044 0.79 TSHR (0.55) TSHRALDH1A1LMNAAPEX1BBOX1
Glycinebetaine SCHEMBL11579913 0.77 TSHR (0.52) TSHRALDH1A1LMNAAPEX1BBOX1
Glycinebetaine SCHEMBL3322714 0.76
Glycinebetaine SCHEMBL1580653 0.75 BBOX1 (0.40) TSHRALDH1A1LMNAAPEX1BBOX1
Glycinebetaine SCHEMBL4599013 0.73 BBOX1 (0.42) TSHRALDH1A1LMNAAPEX1BBOX1
Propionic Acid SCHEMBL145398 0.72 ALDH1A1 (0.47) ALDH1A1CHRM2CHRM4CHRM5CHRM1
Glycinebetaine SCHEMBL486141 0.72 MAPT (0.50) TSHRALDH1A1LMNAAPEX1BBOX1
Glycinebetaine SCHEMBL2046692 0.72 TSHR (0.46) TSHRALDH1A1LMNAAPEX1BBOX1

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6312715-B1 TRANSDERMAL DRUG DELIVERY WITH PRESSURE SENSITIVE ADHESIVE POLYMER MICROSPHERES 3M INNOVATIVE PROPERTIES COMPANY 2001-11-06 US claimed
EP-1077727-A1 ADHESIVE MICROSPHERE DRUG DELIVERY COMPOSITION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2001-02-28 EP claimed
WO-1999056782-A1 ADHESIVE MICROSPHERE DRUG DELIVERY COMPOSITION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-11-11 WO claimed
US-7354596-B1 Anti-microbial agent delivery system 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-04-08 US disclosed
EP-1075183-B1 ANTI-MICROBIAL AGENT DELIVERY SYSTEM 3M INNOVATIVE PROPERTIES CO (US) 2004-09-22 EP disclosed
EP-1077727-B1 ADHESIVE MICROSPHERE DRUG DELIVERY COMPOSITION MINNESOTA MINING & MFG (US) 2003-07-23 EP disclosed
US-6579588-B2 Substrate provided with removable adhesive of polyepoxide, curing agent and microspheres 3M INNOVATIVE PROPERTIES COMPANY 2003-06-17 US disclosed
EP-1007596-B1 Contact Printable Adhesive Composition and Methods of Making Thereof MINNESOTA MINING & MFG (US) 2003-05-02 EP disclosed
EP-1075182-B1 MICROSPHERES AS A DELIVERY VEHICLE FOR BIO-ACTIVE AGENTS USEFUL IN AGRICULTURAL APPLICATIONS MINNESOTA MINING & MFG (US) 2003-02-05 EP disclosed
US-6471975-B1 Microspheres as a delivery vehicle for bio-active agents useful in agricultural applications 3M INNOVATIVE PROPERTIES COMPANY 2002-10-29 US disclosed
US-6444305-B2 SWELLABLE ELASTOMER MICROSPHERES; POLYMERIZABLE MONOMER 3M INNOVATIVE PROPERTIES COMPANY 2002-09-03 US disclosed
WO-1998050480-A1 ADHESIVE COMPOSITIONS THAT ARE REMOVABLE AFTER THERMOSETTING MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-11-12 WO disclosed
EP-0754213-B1 PRESSURE SENSITIVE ADHESIVE(S) AND ARTICLE(S) MINNESOTA MINING & MFG (US) 1998-05-13 EP disclosed
US-5663241-A UNSATURATED ALDEHYDE OR KETONE MONOMER, CROSSLINKED MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-09-02 US disclosed
US-5641567-A WASHABLE, REPULPABLE TAPE COMPRISING A BLEND OF A POLYMERIC MICROPARTICLE AND POLYMERIC DISPERSANTS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-06-24 US disclosed
US-5626955-A Microparticle-containing pressure sensitive adhesive tape MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-05-06 US disclosed
US-5609932-A Microparticle-containing pressure sensitive adhesive tape MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-03-11 US disclosed
EP-0754212-A1 MICROPARTICLE-CONTAINING PRESSURE SENSITIVE ADHESIVE TAPE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-01-22 EP disclosed
US-5512612-A REPULPABLE ADHESIVE COMPONENT MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-04-30 US disclosed
WO-1995027014-A1 MICROPARTICLE-CONTAINING PRESSURE SENSITIVE ADHESIVE TAPE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-10-12 WO disclosed