Water

Water

SCHEMBL1229547

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

nearest known ligand 0.30

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ

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

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 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
SCHEMBL15015915 0.99 TSHR (0.31) TSHR
SCHEMBL2726083 0.81 TSHR (0.39) TSHR
SCHEMBL3288186 0.80 TSHR (0.36) TSHR
SCHEMBL28331619 0.75 TSHR (0.35) TSHR
SCHEMBL2212633 0.74 TSHR (0.50) TSHR
SCHEMBL33546 0.74 TSHR (0.38) TSHR
SCHEMBL29180601 0.73 TSHR (0.36) TSHR
Hydrochloric Acid SCHEMBL21880081 0.72 MAPT (0.46) TSHR
Hydrochloric Acid SCHEMBL6271618 0.72 THRB (0.37) TSHR
Ammonia Solution, Strong SCHEMBL27672291 0.71 ALOX15 (0.35) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773866-B1 USE OF METAL COMPLEXES BIO LAYER PTY LTD (AU) 2013-06-19 EP claimed
US-7881871-B2 Method for designing surfaces BIO-LAYER PTY LIMITED (AU) 2011-02-01 US claimed
EP-1700244-A4 A METHOD FOR DESIGNING SURFACES BIO LAYER PTY LTD (AU) 2009-07-08 EP claimed
US-20070099235-A1 Method for designing surfaces BIO-LAYER PTY LIMITED (AU) 2007-05-03 US claimed
EP-1700244-A1 A METHOD FOR DESIGNING SURFACES Bio-Layer Pty Limited (AU) 2006-09-13 EP claimed
WO-2005057462-A1 A METHOD FOR DESIGNING SURFACES BIO-LAYER PTY LIMITED (AU) 2005-06-23 WO claimed
US-20160103126-A1 USE OF METAL COMPLEXES ANTEO TECHNOLOGIES PTY LTD (AU) 2016-04-14 US disclosed
US-9234891-B2 Use of metal complexes ANTEO TECHNOLOGIES PTY LTD (AU) 2016-01-12 US disclosed
EP-1773866-B1 USE OF METAL COMPLEXES BIO LAYER PTY LTD (AU) 2013-06-19 EP disclosed
US-8273403-B2 Generation of surface coating diversity BIO-LAYER PTY LTD. (AU) 2012-09-25 US disclosed
US-20120214973-A1 USE OF METAL COMPLEXES BIO-LAYER PTY LIMITED (AU) 2012-08-23 US disclosed
US-8168445-B2 Use of metal complexes BIO-LAYER PTY LIMITED (AU) 2012-05-01 US disclosed
EP-1534755-B1 GENERATION OF SURFACE COATING DIVERSITY BIO LAYER PTY LTD (AU) 2011-10-12 EP disclosed
EP-1700244-A1 A METHOD FOR DESIGNING SURFACES Bio-Layer Pty Limited (AU) 2006-09-13 EP disclosed
US-20060083858-A1 Generation of surface coating diversity ANTEO TECHNOLOGIES PTY LTD (AU) 2006-04-20 US disclosed
WO-2006002472-A1 USE OF METAL COMPLEXES BIO-LAYER PTY LTD (AU) 2006-01-12 WO disclosed
EP-1534755-A4 GENERATION OF SURFACE COATING DIVERSITY BIO LAYER PTY LTD (AU) 2005-08-17 EP disclosed
WO-2005057462-A1 A METHOD FOR DESIGNING SURFACES BIO-LAYER PTY LIMITED (AU) 2005-06-23 WO disclosed
EP-1534755-A1 GENERATION OF SURFACE COATING DIVERSITY Bio-Layer Pty Limited (AU) 2005-06-01 EP disclosed
WO-2003095494-A1 GENERATION OF SURFACE COATING DIVERSITY BIO-LAYER PTY LIMITED (AU) 2003-11-20 WO disclosed