Water

Water

SCHEMBL7735848

C=C(C)C(=O)OCCOCC[N+](CC)(CC)CCCS(=O)(=O)O.[OH-]

nearest known ligand 0.47

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 2)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.47
TSHR P16473 2/20 0.39

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
SCHEMBL1929681 0.99 THRB (0.48) THRBTSHR
SCHEMBL1315809 0.91 TSHR (0.44) THRBTSHR
Water SCHEMBL18815180 0.90 TSHR (0.46) THRBTSHR
SCHEMBL25561179 0.89 THRB (0.48) THRBTSHR
SCHEMBL25625858 0.88 THRB (0.47) THRBTSHR
Water SCHEMBL7896367 0.85 THRB (0.45) THRBTSHR
Water SCHEMBL18815181 0.84 TSHR (0.46) THRBTSHR
SCHEMBL15830120 0.83 THRB (0.46) THRBTSHR
SCHEMBL11322530 0.80 THRB (0.54) THRBTSHR
SCHEMBL12936200 0.80 HSD17B10 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6403073-B1 MIXTURE CONTAINING ADDITION POLYMER L'OREAL S.A. (FR) 2002-06-11 US claimed
EP-0889940-B1 ELECTROSPRAYABLE RELEASE COATING MINNESOTA MINING & MFG (US) 2000-05-03 EP claimed
EP-0889940-A1 ELECTROSPRAYABLE RELEASE COATING MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-01-13 EP claimed
US-5858545-A COMPRISING AN UNSATURATED MONOMER, A POLYSILOXANE HAVING UNSATURATED END GROUPS AND ONE OR MORE NONVOLATILE CONDUCTIVITY ENHANCER SOLUBLE IN THE MONOMER AND NOT INTERFERING WITH THE COPOLYMERIZATION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-01-12 US claimed
WO-1997035941-A1 ELECTROSPRAYABLE RELEASE COATING MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-10-02 WO claimed
US-5523367-A DISPOSABLE PRODUCTS PHILLIPS PETROLEUM COMPANY (US) 1996-06-04 US claimed
US-6403073-B1 MIXTURE CONTAINING ADDITION POLYMER L'OREAL S.A. (FR) 2002-06-11 US disclosed
EP-0889940-B1 ELECTROSPRAYABLE RELEASE COATING MINNESOTA MINING & MFG (US) 2000-05-03 EP disclosed
EP-0889940-A1 ELECTROSPRAYABLE RELEASE COATING MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-01-13 EP disclosed
US-5858545-A COMPRISING AN UNSATURATED MONOMER, A POLYSILOXANE HAVING UNSATURATED END GROUPS AND ONE OR MORE NONVOLATILE CONDUCTIVITY ENHANCER SOLUBLE IN THE MONOMER AND NOT INTERFERING WITH THE COPOLYMERIZATION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-01-12 US disclosed
WO-1997035941-A1 ELECTROSPRAYABLE RELEASE COATING MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-10-02 WO disclosed
US-5523367-A DISPOSABLE PRODUCTS PHILLIPS PETROLEUM COMPANY (US) 1996-06-04 US disclosed
EP-0532687-B1 SEMIPERMEABLE COMPOSITE MEMBRANE TNO (NL) 1996-04-17 EP disclosed
US-5348652-A Ampholytic polymer NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 1994-09-20 US disclosed